dimethyl 5-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)benzene-1,3-dicarboxylate
dimethyl 5-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C700-0591 |
| Compound Name: | dimethyl 5-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)benzene-1,3-dicarboxylate |
| Molecular Weight: | 619.05 |
| Molecular Formula: | C31 H23 Cl N2 O8 S |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7131 |
| logD: | 5.7125 |
| logSw: | -5.7672 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.82 |
| InChI Key: | HHIWECZWAMCLRG-UHFFFAOYSA-N |