N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-9926 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 573.02 |
| Molecular Formula: | C30 H21 Cl N2 O6 S |
| Smiles: | CC(c1cc2c(cc1NC(c1ccc3c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S3=O)=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7186 |
| logD: | 4.4355 |
| logSw: | -4.7508 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.12 |
| InChI Key: | QUPNEEWJBNHJIB-UHFFFAOYSA-N |