1'-(4-methylbenzoyl)-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
Chemical Structure Depiction of
1'-(4-methylbenzoyl)-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
1'-(4-methylbenzoyl)-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
Compound characteristics
| Compound ID: | D070-0016 |
| Compound Name: | 1'-(4-methylbenzoyl)-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C21 H26 N2 O2 |
| Smiles: | Cc1ccc(cc1)C(N1C2CCCCC=2C(NC12CCCCC2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6774 |
| logD: | 3.6729 |
| logSw: | -3.716 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.333 |
| InChI Key: | YYLVPMMZDJCUIW-UHFFFAOYSA-N |