ethyl 4-[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
ethyl 4-[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C304-0596 |
| Compound Name: | ethyl 4-[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C23 H24 Cl N3 O3 S |
| Smiles: | CCOC(N1CCC(CC1)NC(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.881 |
| logD: | 4.881 |
| logSw: | -4.864 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.419 |
| InChI Key: | HWQMLBZVIVBKPU-UHFFFAOYSA-N |