propan-2-yl 4-{4-[(4-ethoxyphenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-{4-[(4-ethoxyphenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 4-{4-[(4-ethoxyphenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V031-0600 |
| Compound Name: | propan-2-yl 4-{4-[(4-ethoxyphenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C26 H32 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(Nc2ccc(cc2)OCC)=O)NC1=S)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2822 |
| logD: | 5.2822 |
| logSw: | -5.0488 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.331 |
| InChI Key: | RDHPZOOAEZBNJI-HSZRJFAPSA-N |