methyl 10-[(3-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[(3-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[(3-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0181 |
| Compound Name: | methyl 10-[(3-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C23 H19 N O3 S |
| Smiles: | Cc1cccc(CN2C(c3ccccc3Sc3ccc(cc23)C(=O)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9644 |
| logD: | 5.9644 |
| logSw: | -5.4864 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.574 |
| InChI Key: | UAONUPOPAOVDEC-UHFFFAOYSA-N |