8-(2-phenylethyl)-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-phenylethyl)-7-sulfanylidene-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione
8-(2-phenylethyl)-7-sulfanylidene-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 7834-0060 |
| Compound Name: | 8-(2-phenylethyl)-7-sulfanylidene-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione |
| Molecular Weight: | 438.35 |
| Molecular Formula: | C16 H12 F6 N4 O2 S |
| Smiles: | C(CN1C2=C(C(NC1=S)=O)C(C(F)(F)F)(C(F)(F)F)NC(N2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3692 |
| logD: | -2.7127 |
| logSw: | -3.5734 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.385 |
| InChI Key: | AVDXQIWNRZBSPR-UHFFFAOYSA-N |