2-methylpropyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V010-4783 |
| Compound Name: | 2-methylpropyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(c2ccc3c(c2)OCO3)=O)NC1=S)C(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7138 |
| logD: | 4.7137 |
| logSw: | -4.4065 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.808 |
| InChI Key: | ZBENEMKMZBIXSV-HSZRJFAPSA-N |