1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C610-0506 |
| Compound Name: | 1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C19 H15 N5 O4 S2 |
| Smiles: | CN1C(c2c(nc(c3cccs3)nc2SCc2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4068 |
| logD: | 4.4068 |
| logSw: | -4.5289 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.184 |
| InChI Key: | ZYNJZHHTPCXIEM-UHFFFAOYSA-N |