N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7282 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C30 H24 N2 O4 S |
| Smiles: | Cc1ccccc1CN1C(c2ccccc2Sc2ccc(cc12)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.376 |
| logD: | 6.376 |
| logSw: | -5.476 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.929 |
| InChI Key: | XXOGVZCFVVHRTC-UHFFFAOYSA-N |