N-{2-[benzyl(methyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[benzyl(methyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1358 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 450 |
| Molecular Formula: | C25 H24 Cl N3 O S |
| Smiles: | CC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCN(C)Cc1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1996 |
| logD: | 4.9933 |
| logSw: | -5.4805 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.849 |
| InChI Key: | AIVWUXMQXXGXJM-UHFFFAOYSA-N |