ORC-13661
(1R,8S)-4-[(4-chlorophenyl)carbamoylamino]-11-methyl-5-thia-11-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3-carboxamide
Molecular Identity
ORC-13661
(1R,8S)-4-[(4-chlorophenyl)carbamoylamino]-11-methyl-5-thia-11-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3-carboxamide
PubChem CID: 122445050
2D Structure
Properties
C18H19ClN4O2S
Molecular Formula
390.90
Molecular Weight
g/mol
390.0917
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
571
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(17)
ORC-13661KJ7XLN1TIR1979935-33-54,6-Ethanothieno(3,2-C)pyridine-3-carboxamide, 2-((((4-chlorophenyl)amino)carbonyl)amino)-4,5,6,7-tetrahydro-5-methyl-, (4R,6S)-4,6-Ethanothieno[3,2-c]pyridine-3-carboxamide, 2-[[[(4-chlorophenyl)amino]carbonyl]amino]-4,5,6,7-tetrahydro-5-methyl-, (4R,6S)-RefChem:168438UNII-KJ7XLN1TIR(4R,7S)-2-(3-(4-chlorophenyl)ureido)-9-methyl-5,6,7,8-tetrahydro-4H-4,7-epiminocyclohepta[b]thiophene-3-carboxamideORC-13661 hydrochloride(4R,7S)-2-(3-(4-chlorophenyl)ureido)-9-methyl-5,6,7,8-tetrahydro-4H-4,7-epiminocyclohepta[b]thiophene-3-carboxamide hydrochlorideCHEMBL4116269SCHEMBL17969210TQR1063DAHGONXBHYVOPI-NWDGAFQWSA-NGLXC-23546
Data from PubChem (NCBI)
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