5-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0075 |
| Compound Name: | 5-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C25 H22 N4 O5 S |
| Smiles: | COc1cccc(c1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2223 |
| logD: | 1.7844 |
| logSw: | -3.7089 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.276 |
| InChI Key: | YWDSYVLBHGPTNP-HXUWFJFHSA-N |