2-methylpropyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1500-0492 |
| Compound Name: | 2-methylpropyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C16 H19 N3 O4 S |
| Smiles: | CC(C)COC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0307 |
| logD: | 3.0146 |
| logSw: | -3.4171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.185 |
| InChI Key: | CSPYARXGGMTLRL-CQSZACIVSA-N |