1-(3-chloro-4-fluorobenzoyl)-1'-ethyl-6'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Chemical Structure Depiction of
1-(3-chloro-4-fluorobenzoyl)-1'-ethyl-6'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
1-(3-chloro-4-fluorobenzoyl)-1'-ethyl-6'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Compound characteristics
| Compound ID: | P500-0561 |
| Compound Name: | 1-(3-chloro-4-fluorobenzoyl)-1'-ethyl-6'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one |
| Molecular Weight: | 415.89 |
| Molecular Formula: | C22 H23 Cl F N3 O2 |
| Smiles: | CCN1c2ccc(C)cc2C(NC12CCN(CC2)C(c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1273 |
| logD: | 3.127 |
| logSw: | -3.6332 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.598 |
| InChI Key: | VNRMQYUKPNMYOG-UHFFFAOYSA-N |