2-methylpropyl 4-[4-(benzylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-[4-(benzylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 4-[4-(benzylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V024-3473 |
| Compound Name: | 2-methylpropyl 4-[4-(benzylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C26 H32 N4 O3 S |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(NCc2ccccc2)=O)NC1=S)C(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4379 |
| logD: | 4.4379 |
| logSw: | -4.2335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.226 |
| InChI Key: | JPKMANOAODSFDV-HSZRJFAPSA-N |