8-phenyl-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-phenyl-7-sulfanylidene-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione
8-phenyl-7-sulfanylidene-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8019-1459 |
| Compound Name: | 8-phenyl-7-sulfanylidene-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione |
| Molecular Weight: | 410.29 |
| Molecular Formula: | C14 H8 F6 N4 O2 S |
| Smiles: | c1ccc(cc1)N1C2=C(C(NC1=S)=O)C(C(F)(F)F)(C(F)(F)F)NC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6729 |
| logD: | -2.9895 |
| logSw: | -3.283 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.795 |
| InChI Key: | QSUSNUODLVWIRW-UHFFFAOYSA-N |