N-[(2-chlorophenyl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2-chlorophenyl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0917 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 420.96 |
| Molecular Formula: | C24 H21 Cl N2 O S |
| Smiles: | CC1c2c(C)ccc(C)c2Sc2ccc(cc2N=1)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1062 |
| logD: | 6.1058 |
| logSw: | -6.0836 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.914 |
| InChI Key: | MDCPZGXKCAZMGV-UHFFFAOYSA-N |