2-(methylsulfanyl)-5-(3-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(methylsulfanyl)-5-(3-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(methylsulfanyl)-5-(3-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | 6279-6019 |
| Compound Name: | 2-(methylsulfanyl)-5-(3-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C18 H16 N4 O4 S |
| Smiles: | CSC1NC(C2C(C3=C(CCCC3=O)NC=2N=1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0392 |
| logD: | 0.351 |
| logSw: | -2.8911 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.004 |
| InChI Key: | VDJWXMHOALKWJW-CYBMUJFWSA-N |