N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)-beta-alaninamide
N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | C648-0451 |
| Compound Name: | N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C16 H16 N6 O7 S2 |
| Smiles: | CN1C(c2cc(ccc2N(C)C1=O)S(NCCC(Nc1ncc([N+]([O-])=O)s1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5593 |
| logD: | -0.0124 |
| logSw: | -2.5984 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 140.391 |
| InChI Key: | MSIQWLLUBRAZFF-UHFFFAOYSA-N |