8-(2-fluorophenyl)-7-sulfanylidene-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione
Chemical Structure Depiction of
8-(2-fluorophenyl)-7-sulfanylidene-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione
8-(2-fluorophenyl)-7-sulfanylidene-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8017-2418 |
| Compound Name: | 8-(2-fluorophenyl)-7-sulfanylidene-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione |
| Molecular Weight: | 428.29 |
| Molecular Formula: | C14 H7 F7 N4 O2 S |
| Smiles: | c1ccc(c(c1)N1C2=C(C(NC1=S)=O)C(C(F)(F)F)(C(F)(F)F)NC(N2)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.845 |
| logD: | -2.8174 |
| logSw: | -3.5736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.494 |
| InChI Key: | XWESLDKOXBROHK-UHFFFAOYSA-N |