6'-iodo-1-{[4-(trifluoromethyl)phenyl]methyl}-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Chemical Structure Depiction of
6'-iodo-1-{[4-(trifluoromethyl)phenyl]methyl}-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
6'-iodo-1-{[4-(trifluoromethyl)phenyl]methyl}-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
Compound characteristics
| Compound ID: | V012-7034 |
| Compound Name: | 6'-iodo-1-{[4-(trifluoromethyl)phenyl]methyl}-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one |
| Molecular Weight: | 501.29 |
| Molecular Formula: | C20 H19 F3 I N3 O |
| Salt: | not_available |
| Smiles: | C1CN(CCC12NC(c1cc(ccc1N2)I)=O)Cc1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.1593 |
| logD: | 4.344 |
| logSw: | -5.3505 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.282 |
| InChI Key: | PDPCRMPPSAGAEH-UHFFFAOYSA-N |