N-{2-[butyl(ethyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[butyl(ethyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[butyl(ethyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0652 |
| Compound Name: | N-{2-[butyl(ethyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 430.01 |
| Molecular Formula: | C23 H28 Cl N3 O S |
| Smiles: | CCCCN(CC)CCNC(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5313 |
| logD: | 4.4437 |
| logSw: | -5.7481 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.691 |
| InChI Key: | RNZKDVQXUKCBNU-UHFFFAOYSA-N |