N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N~2~-methylglycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | C597-0575 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N~2~-methylglycinamide |
| Molecular Weight: | 474.49 |
| Molecular Formula: | C21 H22 N4 O7 S |
| Smiles: | CN1C(c2cc(ccc2N(C)C1=O)S(N(C)CC(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4494 |
| logD: | 1.4494 |
| logSw: | -2.7833 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.493 |
| InChI Key: | QDZGGKWXLYVSRY-UHFFFAOYSA-N |