ethyl 4-(2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate
ethyl 4-(2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C304-0684 |
| Compound Name: | ethyl 4-(2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C22 H22 Cl N3 O3 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3638 |
| logD: | 4.3635 |
| logSw: | -4.5315 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.929 |
| InChI Key: | FXBWFCIAUDVWIG-UHFFFAOYSA-N |