N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2,3-dihydro-4H-1,4-benzothiazine-4-carboxamide
Chemical Structure Depiction of
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2,3-dihydro-4H-1,4-benzothiazine-4-carboxamide
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2,3-dihydro-4H-1,4-benzothiazine-4-carboxamide
Compound characteristics
| Compound ID: | C800-0735 |
| Compound Name: | N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2,3-dihydro-4H-1,4-benzothiazine-4-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(cc1)NC(N1CCSc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9882 |
| logD: | 3.9882 |
| logSw: | -4.2054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.901 |
| InChI Key: | IPKQJIZZVSCUFE-UHFFFAOYSA-N |