10-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7116 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 521.05 |
| Molecular Formula: | C29 H26 Cl F N2 O2 S |
| Smiles: | C1CCC(CCNC(c2ccc3c(c2)N(Cc2ccc(cc2[Cl])F)C(c2ccccc2S3)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.8731 |
| logD: | 6.8731 |
| logSw: | -6.4218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.848 |
| InChI Key: | XGPBSRJFRRRZOV-UHFFFAOYSA-N |