3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061151 |
| Compound Name: | 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 515.94 |
| Molecular Formula: | C25 H17 Cl F3 N3 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0643 |
| logD: | 5.0603 |
| logSw: | -5.3028 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.716 |
| InChI Key: | NFCUTFFVWCORAD-UHFFFAOYSA-N |