N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide
N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | C648-0341 |
| Compound Name: | N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C22 H23 N5 O6 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(CCNS(c1ccc3c(c1)C(N(C)C(N3C)=O)=O)(=O)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.961 |
| logD: | 2.9608 |
| logSw: | -3.7648 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.975 |
| InChI Key: | CRINSVRRLAZXHY-UHFFFAOYSA-N |