methyl 10-[(3-methylphenyl)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-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0056 |
| Compound Name: | methyl 10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C23 H19 N O5 S |
| Smiles: | Cc1cccc(CN2C(c3ccccc3S(c3ccc(cc23)C(=O)OC)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3549 |
| logD: | 4.3549 |
| logSw: | -4.4481 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.555 |
| InChI Key: | PVDRNISRRHRCLE-UHFFFAOYSA-N |