ethyl 4-{3-[(cyclopentanecarbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[(cyclopentanecarbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-{3-[(cyclopentanecarbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V013-3905 |
| Compound Name: | ethyl 4-{3-[(cyclopentanecarbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(C2CCCC2)=O)NC1=S)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8072 |
| logD: | 3.8071 |
| logSw: | -3.8121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.875 |
| InChI Key: | BRRYULOUMVDPDO-IBGZPJMESA-N |