ethyl 4-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)benzoate
ethyl 4-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | C700-0576 |
| Compound Name: | ethyl 4-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)benzoate |
| Molecular Weight: | 575.04 |
| Molecular Formula: | C30 H23 Cl N2 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8257 |
| logD: | 5.8234 |
| logSw: | -5.7603 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.226 |
| InChI Key: | RJMGXDBIAFMNQN-UHFFFAOYSA-N |