ethyl 4-[(2-chloro-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-chloro-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
ethyl 4-[(2-chloro-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C304-0834 |
| Compound Name: | ethyl 4-[(2-chloro-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate |
| Molecular Weight: | 486.03 |
| Molecular Formula: | C25 H28 Cl N3 O3 S |
| Smiles: | CCCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NC1CCN(CC1)C(=O)OCC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7858 |
| logD: | 5.7857 |
| logSw: | -5.845 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.149 |
| InChI Key: | GOBWQQMJLJSUAC-UHFFFAOYSA-N |