propan-2-yl 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1500-0454 |
| Compound Name: | propan-2-yl 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C15 H17 N3 O4 S |
| Smiles: | CC(C)OC(C1C(c2ccccc2[N+]([O-])=O)NC(NC=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6687 |
| logD: | 2.6527 |
| logSw: | -3.2393 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.188 |
| InChI Key: | OOQOXORGMGBYSU-CYBMUJFWSA-N |