1-(2H-1,3-benzodioxole-5-carbonyl)-6'-fluoro-1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxole-5-carbonyl)-6'-fluoro-1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
1-(2H-1,3-benzodioxole-5-carbonyl)-6'-fluoro-1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Compound characteristics
| Compound ID: | P500-0248 |
| Compound Name: | 1-(2H-1,3-benzodioxole-5-carbonyl)-6'-fluoro-1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one |
| Molecular Weight: | 397.4 |
| Molecular Formula: | C21 H20 F N3 O4 |
| Smiles: | CN1c2ccc(cc2C(NC12CCN(CC2)C(c1ccc2c(c1)OCO2)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 1.8928 |
| logD: | 1.8928 |
| logSw: | -2.8009 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.755 |
| InChI Key: | PTNAKDUOQGODNF-UHFFFAOYSA-N |