methyl 10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0188 |
| Compound Name: | methyl 10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C24 H21 N O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3Sc3ccc(cc23)C(=O)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.3639 |
| logD: | 6.3639 |
| logSw: | -5.5133 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.574 |
| InChI Key: | WSARJTUQGSXTBA-UHFFFAOYSA-N |