2-{6-methyl-2,4-dioxo-3-[4-(propan-2-yl)phenyl]-3,4-dihydroquinazolin-1(2H)-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-{6-methyl-2,4-dioxo-3-[4-(propan-2-yl)phenyl]-3,4-dihydroquinazolin-1(2H)-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
2-{6-methyl-2,4-dioxo-3-[4-(propan-2-yl)phenyl]-3,4-dihydroquinazolin-1(2H)-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | V027-7827 |
| Compound Name: | 2-{6-methyl-2,4-dioxo-3-[4-(propan-2-yl)phenyl]-3,4-dihydroquinazolin-1(2H)-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 509.53 |
| Molecular Formula: | C28 H26 F3 N3 O3 |
| Smiles: | CC(C)c1ccc(cc1)N1C(c2cc(C)ccc2N(CC(NCc2cccc(c2)C(F)(F)F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.25 |
| logD: | 5.25 |
| logSw: | -5.1261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.127 |
| InChI Key: | BSDUOAMQHIUQAH-UHFFFAOYSA-N |