N-{3-[benzyl(propan-2-yl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1368 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 492.08 |
| Molecular Formula: | C28 H30 Cl N3 O S |
| Smiles: | CC(C)N(CCCNC(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Cl])=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2626 |
| logD: | 4.3163 |
| logSw: | -5.9472 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.352 |
| InChI Key: | YAUYYGKWDDZFSQ-UHFFFAOYSA-N |