10-[(2-chloro-4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7111 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 533.02 |
| Molecular Formula: | C29 H22 Cl F N2 O3 S |
| Smiles: | COc1cccc(CNC(c2ccc3c(c2)N(Cc2ccc(cc2[Cl])F)C(c2ccccc2S3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6663 |
| logD: | 6.6663 |
| logSw: | -6.142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.358 |
| InChI Key: | NFLICRZPVXNACT-UHFFFAOYSA-N |