ethyl 4-({10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate
ethyl 4-({10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K786-6678 |
| Compound Name: | ethyl 4-({10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C31 H33 N3 O4 S |
| Smiles: | CCOC(N1CCC(CC1)NC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2764 |
| logD: | 6.2764 |
| logSw: | -5.4247 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.319 |
| InChI Key: | NQWVTZAKWZIJRL-UHFFFAOYSA-N |