Arm-210
4-[(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methyl]benzoic acid
Molecular Identity
Arm-210
4-[(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methyl]benzoic acid
PubChem CID: 71761628
2D Structure
Properties
C18H19NO3S
Molecular Formula
329.40
Molecular Weight
g/mol
329.1086
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
75.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
398
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC2=C(C=C1)SCCN(C2)CC3=CC=C(C=C3)C(=O)OIsomeric SMILES
SMILES: COC1=CC2=C(C=C1)SCCN(C2)CC3=CC=C(C=C3)C(=O)OSynonyms(20)
Rycal dmdARM-210ARM210s48168S-481681033GN605LUNII-1033GN605L4-((7-Methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl)benzoic acidBenzoic acid, 4-((2,3-dihydro-7-methoxy-1,4-benzothiazepin-4(5H)-yl)methyl)-4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acidRefChem:114098Surlorian1467605-57-74-((7-methoxy-2,3-dihydrobenzo[f][1,4]thiazepin-4(5H)-yl)methyl)benzoic acidsurlorian [INN]
Data from PubChem (NCBI)
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