2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}butanamide
Chemical Structure Depiction of
2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}butanamide
2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}butanamide
Compound characteristics
| Compound ID: | V007-3433 |
| Compound Name: | 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}butanamide |
| Molecular Weight: | 545.95 |
| Molecular Formula: | C27 H23 Cl F3 N3 O4 |
| Smiles: | CCC(C(NCc1cccc(c1)C(F)(F)F)=O)N1C(N(C(c2ccc(cc12)[Cl])=O)c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8337 |
| logD: | 4.8337 |
| logSw: | -4.9064 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.809 |
| InChI Key: | XSPCJEZMOYLINE-QFIPXVFZSA-N |