4-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0829 |
| Compound Name: | 4-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 493.99 |
| Molecular Formula: | C26 H21 Cl F N3 O2 S |
| Smiles: | Cn1c2c(C(C(NCc3ccc(cc3)F)=O)N(C(CS2)=O)c2cccc(c2)[Cl])c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6777 |
| logD: | 4.6777 |
| logSw: | -4.8533 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.989 |
| InChI Key: | RQQAFPXBOASGRZ-XMMPIXPASA-N |