N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-benzyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-benzyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-benzyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1513 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-benzyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C29 H22 N2 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0182 |
| logD: | 4.0182 |
| logSw: | -4.364 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.313 |
| InChI Key: | MGQIMWSVMBGXLO-UHFFFAOYSA-N |