1'-(2-phenylquinoline-4-carbonyl)-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
Chemical Structure Depiction of
1'-(2-phenylquinoline-4-carbonyl)-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
1'-(2-phenylquinoline-4-carbonyl)-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
Compound characteristics
Compound ID: | D070-0017 |
Compound Name: | 1'-(2-phenylquinoline-4-carbonyl)-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one |
Molecular Weight: | 451.57 |
Molecular Formula: | C29 H29 N3 O2 |
Smiles: | C1CCC2(CC1)NC(C1CCCCC=1N2C(c1cc(c2ccccc2)nc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.6905 |
logD: | 5.6816 |
logSw: | -6.0817 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.392 |
InChI Key: | BUTXHKPRQBEPHN-UHFFFAOYSA-N |