methyl 4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2836-0075 |
| Compound Name: | methyl 4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 296.77 |
| Molecular Formula: | C13 H13 Cl N2 O2 S |
| Smiles: | CC1=C(C(c2cccc(c2)[Cl])NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5672 |
| logD: | 2.5511 |
| logSw: | -3.3345 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.848 |
| InChI Key: | LENLFTNWSDALFA-NSHDSACASA-N |