2-methoxyethyl 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-methoxyethyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methoxyethyl 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: | V013-1072 |
| Compound Name: | 2-methoxyethyl 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: | 497.57 |
| Molecular Formula: | C25 H27 N3 O6 S |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(c2ccc3c(c2)OCO3)=O)NC1=S)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0361 |
| logD: | 3.036 |
| logSw: | -3.3633 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.069 |
| InChI Key: | RFIQOQPYDQTLCI-JOCHJYFZSA-N |