N~3~-[2-(4-methoxyphenyl)quinazolin-4-yl]-N~3~-[3-(morpholin-4-yl)propyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2-(4-methoxyphenyl)quinazolin-4-yl]-N~3~-[3-(morpholin-4-yl)propyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-[2-(4-methoxyphenyl)quinazolin-4-yl]-N~3~-[3-(morpholin-4-yl)propyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V013-6158 |
| Compound Name: | N~3~-[2-(4-methoxyphenyl)quinazolin-4-yl]-N~3~-[3-(morpholin-4-yl)propyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 607.68 |
| Molecular Formula: | C33 H36 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nc(c2ccccc2n1)N(CCCN1CCOCC1)CCC(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1135 |
| logD: | 5.6723 |
| logSw: | -5.8709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.793 |
| InChI Key: | WHWMABUNCZSSQF-UHFFFAOYSA-N |