3-(3-chlorophenyl)-7-{[(4-chlorophenyl)methyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-7-{[(4-chlorophenyl)methyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
3-(3-chlorophenyl)-7-{[(4-chlorophenyl)methyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 7682-0140 |
| Compound Name: | 3-(3-chlorophenyl)-7-{[(4-chlorophenyl)methyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 431.3 |
| Molecular Formula: | C19 H12 Cl2 N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ncc2C(N(C(Nc2n1)=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1755 |
| logD: | 1.9093 |
| logSw: | -4.5143 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.988 |
| InChI Key: | YPQLQVQSCMNFPZ-UHFFFAOYSA-N |