3-amino-N-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
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Basic information
- CAS
387831-21-2- Standard SMILES
Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(cc12)CCCCCC3- InChIKey
XVQJFQSWVBVCEQ-UHFFFAOYSA-N- Molecular formula
- C20H20ClN3OS
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.1015611
Names & identifiers
- Preferred name
- 3-amino-N-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
- IUPAC
- 6-amino-N-(4-chlorophenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
- English name
- 3-amino-N-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
- Molecular formula
- C20H20ClN3OS
- Molecular weight
- 385.9103
Names & synonyms
387831-21-23-amino-N-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide6-amino-N-(4-chlorophenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide6-amino-N-(4-chlorophenyl)-4-thia-2-azatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,5,7-tetraene-5-carboxamideOprea1_027105CHEMBL3758955STK207863AKOS002206265SS-0697CS-0323294ST50129839AM-807/14146958
Show more names
F3129-0120(3-amino(5,6,7,8,9,10-hexahydrocycloocta[1,2-e]thiopheno[2,3-b]pyridin-2-yl))- N-(4-chlorophenyl)carboxamide
Database identifiers
- CAS
387831-21-2- PubChem CID
- 1005102
- ChEMBL
CHEMBL3758955
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 499
Related reactions
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Compound notes
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