N-{3-[bis(2-methylpropyl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[bis(2-methylpropyl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1375 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 472.09 |
| Molecular Formula: | C26 H34 Cl N3 O S |
| Smiles: | CC(C)CN(CCCNC(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Cl])=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.4691 |
| logD: | 3.6736 |
| logSw: | -6.1246 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.988 |
| InChI Key: | IIRJIRKMJJINOZ-UHFFFAOYSA-N |