methyl 10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | K780-0655 |
| Compound Name: | methyl 10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 441.89 |
| Molecular Formula: | C22 H16 Cl N O5 S |
| Smiles: | COC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.303 |
| logD: | 4.303 |
| logSw: | -4.5534 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.555 |
| InChI Key: | FLBZSXCILBYGNE-UHFFFAOYSA-N |