N-(4-bromo-3-methylphenyl)-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide
N-(4-bromo-3-methylphenyl)-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C648-0329 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 509.38 |
| Molecular Formula: | C20 H21 Br N4 O5 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCNS(c1ccc2c(c1)C(N(C)C(N2C)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9218 |
| logD: | 2.9212 |
| logSw: | -3.622 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.09 |
| InChI Key: | MPGQTNMFOSTYSO-UHFFFAOYSA-N |