Molecules/[(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate
[(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate
[(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate
Molecular Identity
[(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate
[(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate
PubChem CID: 156881893
2D Structure
Properties
C33H47N3O9
Molecular Formula
629.70
Molecular Weight
g/mol
629.3312
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
117
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
883
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC2=CC(=C1OC)OCCCC(CCN3CCCN(CCCNC2=O)CC3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OCIsomeric SMILES
SMILES: COC1=CC2=CC(=C1OC)OCCC[C@H](CCN3CCCN(CCCNC2=O)CC3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OCSynonyms(11)
EOS-9842724937-55-5EOS984orb2646015SCHEMBL25128835GTPL13932EX-A9757EOS301984compound 10 [US20230203058A1]HY-159650T88842
Data from PubChem (NCBI)
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Molecular Structure
[(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate
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Drug Network
Trials and conditions connected to [(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate
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