propan-2-yl 4-[3-(3,4-dichlorobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-[3-(3,4-dichlorobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 4-[3-(3,4-dichlorobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-8249 |
| Compound Name: | propan-2-yl 4-[3-(3,4-dichlorobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 492.42 |
| Molecular Formula: | C23 H23 Cl2 N3 O3 S |
| Smiles: | CC(C)OC(C1C(c2cccc(c2)NC(c2ccc(c(c2)[Cl])[Cl])=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2295 |
| logD: | 5.219 |
| logSw: | -5.8719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.036 |
| InChI Key: | CRAHVVVDFWIROQ-FQEVSTJZSA-N |