ethyl 4-({10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate
ethyl 4-({10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C530-1362 |
| Compound Name: | ethyl 4-({10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate |
| Molecular Weight: | 575.68 |
| Molecular Formula: | C31 H33 N3 O6 S |
| Smiles: | CCOC(N1CCC(CC1)NC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6668 |
| logD: | 4.6668 |
| logSw: | -4.3046 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.3 |
| InChI Key: | ACGPSCRDOGPMCA-UHFFFAOYSA-N |