1-[(furan-2-yl)methyl]-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
Chemical Structure Depiction of
1-[(furan-2-yl)methyl]-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
1-[(furan-2-yl)methyl]-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
Compound characteristics
Compound ID: | 7591-0791 |
Compound Name: | 1-[(furan-2-yl)methyl]-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one |
Molecular Weight: | 408.34 |
Molecular Formula: | C18 H18 F6 N2 O2 |
Smiles: | CC1=NC(C2=C(CC(C)(C)CC2=O)N1Cc1ccco1)(C(F)(F)F)C(F)(F)F |
Stereo: | ACHIRAL |
logP: | 4.207 |
logD: | 4.207 |
logSw: | -4.3678 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 33.204 |
InChI Key: | JNRSXWSLYTWLKS-UHFFFAOYSA-N |