5'-chloro-1-{[4-(propan-2-yl)phenyl]methyl}-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Chemical Structure Depiction of
5'-chloro-1-{[4-(propan-2-yl)phenyl]methyl}-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
5'-chloro-1-{[4-(propan-2-yl)phenyl]methyl}-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Compound characteristics
| Compound ID: | V021-1417 |
| Compound Name: | 5'-chloro-1-{[4-(propan-2-yl)phenyl]methyl}-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one |
| Molecular Weight: | 383.92 |
| Molecular Formula: | C22 H26 Cl N3 O |
| Smiles: | CC(C)c1ccc(CN2CCC3(CC2)NC(c2c(cccc2[Cl])N3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6628 |
| logD: | 3.8474 |
| logSw: | -4.9803 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.282 |
| InChI Key: | YDIQQYAKLGZQNR-UHFFFAOYSA-N |