N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2-methylphenyl)methyl]-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-[(2-methylphenyl)methyl]-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-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0061 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C30 H24 N2 O5 S |
| Smiles: | Cc1ccccc1CN1C(c2ccccc2S(c2ccc(cc12)C(NCc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6369 |
| logD: | 4.6369 |
| logSw: | -4.3649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.313 |
| InChI Key: | LCXZQRFGROIPOU-UHFFFAOYSA-N |