N-(3,4-dimethoxyphenyl)-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide
N-(3,4-dimethoxyphenyl)-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C648-0326 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C21 H24 N4 O7 S |
| Smiles: | CN1C(c2cc(ccc2N(C)C1=O)S(NCCC(Nc1ccc(c(c1)OC)OC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2822 |
| logD: | 1.2818 |
| logSw: | -2.5353 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.351 |
| InChI Key: | BIJMINREGQBUEJ-UHFFFAOYSA-N |