7-{[(4-chlorophenyl)methyl]sulfanyl}-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-{[(4-chlorophenyl)methyl]sulfanyl}-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-{[(4-chlorophenyl)methyl]sulfanyl}-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 7682-0154 |
| Compound Name: | 7-{[(4-chlorophenyl)methyl]sulfanyl}-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C19 H13 Cl N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ncc2C(N(C(Nc2n1)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4144 |
| logD: | 2.0699 |
| logSw: | -3.9564 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.988 |
| InChI Key: | MVRUXJURAVISHZ-UHFFFAOYSA-N |