2-chloro-11-methyl-N-[(4-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-11-methyl-N-[(4-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-11-methyl-N-[(4-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1359 |
| Compound Name: | 2-chloro-11-methyl-N-[(4-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 406.93 |
| Molecular Formula: | C23 H19 Cl N2 O S |
| Smiles: | CC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCc1ccc(C)cc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9183 |
| logD: | 5.9182 |
| logSw: | -5.9931 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.914 |
| InChI Key: | LCHIIQGEEHONKY-UHFFFAOYSA-N |