1-(3-chloro-4-fluorobenzoyl)-1',6'-dimethyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Chemical Structure Depiction of
1-(3-chloro-4-fluorobenzoyl)-1',6'-dimethyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
1-(3-chloro-4-fluorobenzoyl)-1',6'-dimethyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Compound characteristics
| Compound ID: | P500-0176 |
| Compound Name: | 1-(3-chloro-4-fluorobenzoyl)-1',6'-dimethyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C21 H21 Cl F N3 O2 |
| Smiles: | Cc1ccc2c(c1)C(NC1(CCN(CC1)C(c1ccc(c(c1)[Cl])F)=O)N2C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6914 |
| logD: | 2.6913 |
| logSw: | -3.6908 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.639 |
| InChI Key: | DPPVIWMGVIZISZ-UHFFFAOYSA-N |