pentyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
pentyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
pentyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2017-2415 |
| Compound Name: | pentyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 361.4 |
| Molecular Formula: | C18 H23 N3 O5 |
| Smiles: | CCCCCOC(C1C(c2ccc(cc2)[N+]([O-])=O)NC(N(C)C=1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4558 |
| logD: | 3.419 |
| logSw: | -3.5216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.104 |
| InChI Key: | NRKBEZCCKWVBJV-INIZCTEOSA-N |