ethyl 4-({10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate
ethyl 4-({10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C529-0042 |
| Compound Name: | ethyl 4-({10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)piperidine-1-carboxylate |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C30 H31 N3 O5 S |
| Smiles: | CCOC(N1CCC(CC1)NC(c1ccc2c(c1)N(Cc1ccccc1C)C(c1ccccc1S2=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1098 |
| logD: | 4.1098 |
| logSw: | -4.1102 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.703 |
| InChI Key: | VDMNWVUDYBGLEW-UHFFFAOYSA-N |