N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N~2~-methylglycinamide
N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | C597-0581 |
| Compound Name: | N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N~2~-methylglycinamide |
| Molecular Weight: | 507.97 |
| Molecular Formula: | C20 H18 Cl N5 O5 S2 |
| Smiles: | CN1C(c2cc(ccc2N(C)C1=O)S(N(C)CC(Nc1nc2ccc(cc2s1)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3497 |
| logD: | 3.3463 |
| logSw: | -3.8123 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.816 |
| InChI Key: | VKPNJGRKJUHUTE-UHFFFAOYSA-N |