N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N~3~-[(furan-2-yl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N~3~-[(furan-2-yl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N~3~-[(furan-2-yl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V028-7191 |
| Compound Name: | N~3~-(6,8-dichloro-2-ethylquinazolin-4-yl)-N~3~-[(furan-2-yl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 551.4 |
| Molecular Formula: | C26 H23 Cl2 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | CCc1nc(c2cc(cc(c2n1)[Cl])[Cl])N(CCC(NCc1cccc(c1)C(F)(F)F)=O)Cc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 6.6504 |
| logD: | 6.4216 |
| logSw: | -6.4436 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.161 |
| InChI Key: | AVEZMHSSZRDYQP-UHFFFAOYSA-N |