methyl 4-[4-(2,4-dichlorobenzamido)phenyl]-1,6-diethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(2,4-dichlorobenzamido)phenyl]-1,6-diethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-[4-(2,4-dichlorobenzamido)phenyl]-1,6-diethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-8184 |
| Compound Name: | methyl 4-[4-(2,4-dichlorobenzamido)phenyl]-1,6-diethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 492.42 |
| Molecular Formula: | C23 H23 Cl2 N3 O3 S |
| Smiles: | CCC1=C(C(c2ccc(cc2)NC(c2ccc(cc2[Cl])[Cl])=O)NC(N1CC)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.027 |
| logD: | 5.0233 |
| logSw: | -5.2504 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.098 |
| InChI Key: | AHOGUCLYVOOASF-FQEVSTJZSA-N |