methyl 4-{4-[(2,6-dichlorophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(2,6-dichlorophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{4-[(2,6-dichlorophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-1743 |
| Compound Name: | methyl 4-{4-[(2,6-dichlorophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 493.41 |
| Molecular Formula: | C22 H22 Cl2 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(Nc2c(cccc2[Cl])[Cl])=O)NC1=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1241 |
| logD: | 5.1226 |
| logSw: | -5.6747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.553 |
| InChI Key: | NWSYIQVGCWBVSG-SFHVURJKSA-N |