ethyl 4-[(2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
ethyl 4-[(2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C304-1310 |
| Compound Name: | ethyl 4-[(2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NC1CCN(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5114 |
| logD: | 5.5112 |
| logSw: | -5.3085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.149 |
| InChI Key: | KWOQBRJXLMITFK-UHFFFAOYSA-N |