N-cyclopentyl-4-[(4-fluorophenyl)methyl]-3-methyl-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-4-[(4-fluorophenyl)methyl]-3-methyl-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide
N-cyclopentyl-4-[(4-fluorophenyl)methyl]-3-methyl-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide
Compound characteristics
| Compound ID: | C800-0538 |
| Compound Name: | N-cyclopentyl-4-[(4-fluorophenyl)methyl]-3-methyl-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C25 H26 F N3 O2 S |
| Smiles: | CC1(CSc2c3ccccc3[nH]c2C(N1Cc1ccc(cc1)F)=O)C(NC1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7616 |
| logD: | 4.7616 |
| logSw: | -4.6132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.979 |
| InChI Key: | GMLSRYSTMUFBJZ-VWLOTQADSA-N |