N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1400 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C31 H26 N2 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3Sc3ccc(cc23)C(NCc2ccc3c(c2)OCO3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.8034 |
| logD: | 6.8034 |
| logSw: | -5.5304 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.929 |
| InChI Key: | KPVKNEQUIDGSNF-UHFFFAOYSA-N |