methyl 3-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)thiophene-2-carboxylate
methyl 3-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C700-0590 |
| Compound Name: | methyl 3-({10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}amino)thiophene-2-carboxylate |
| Molecular Weight: | 567.04 |
| Molecular Formula: | C27 H19 Cl N2 O6 S2 |
| Smiles: | COC(c1c(ccs1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8409 |
| logD: | 4.3903 |
| logSw: | -4.7979 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.966 |
| InChI Key: | CIIFTINUSXPDOF-UHFFFAOYSA-N |