N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-benzyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-benzyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-benzyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1909 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-benzyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 526.57 |
| Molecular Formula: | C29 H22 N2 O6 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1478 |
| logD: | 4.1478 |
| logSw: | -4.4078 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.91 |
| InChI Key: | AKQLZNQTRMYTFD-UHFFFAOYSA-N |