methyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4476-2263 |
| Compound Name: | methyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C17 H20 N2 O5 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)OC)N(C(C)=O)C(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6086 |
| logD: | -0.3495 |
| logSw: | -2.3564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.254 |
| InChI Key: | HHERILGCPRNSMV-HNNXBMFYSA-N |