2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-N-(3,4-dimethylphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-N-(3,4-dimethylphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-N-(3,4-dimethylphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G856-6432 |
| Compound Name: | 2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-N-(3,4-dimethylphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H23 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(C1=CN=C(N(C)C1=O)SCC(Nc1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1571 |
| logD: | 3.6496 |
| logSw: | -4.3168 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.34 |
| InChI Key: | DERTVBYUUKGVIM-UHFFFAOYSA-N |