2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8015-4297 |
| Compound Name: | 2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 555.66 |
| Molecular Formula: | C30 H32 F3 N3 O2 S |
| Smiles: | CC(C)CN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.851 |
| logD: | 6.851 |
| logSw: | -5.518 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.272 |
| InChI Key: | LDMMCPOXEVDYAK-UHFFFAOYSA-N |