2-(benzylsulfanyl)-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(benzylsulfanyl)-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0110 |
| Compound Name: | 2-(benzylsulfanyl)-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 442.62 |
| Molecular Formula: | C28 H30 N2 O S |
| Smiles: | CC(=C)CN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5091 |
| logD: | 6.5091 |
| logSw: | -5.5291 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8207 |
| InChI Key: | BDOFOSZSFUNVLS-UHFFFAOYSA-N |