ethyl 6-[(azepan-1-yl)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(azepan-1-yl)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(azepan-1-yl)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7968 |
| Compound Name: | ethyl 6-[(azepan-1-yl)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C20 H26 N4 O5 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1CN1CCCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6066 |
| logD: | 2.6066 |
| logSw: | -2.9636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.497 |
| InChI Key: | BIVGJUAVKZJSRQ-SFHVURJKSA-N |