5-cyclohexyl-5-methyl-2-{[(2E)-5-phenylhex-2-en-1-yl]sulfanyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Chemical Structure Depiction of
5-cyclohexyl-5-methyl-2-{[(2E)-5-phenylhex-2-en-1-yl]sulfanyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
5-cyclohexyl-5-methyl-2-{[(2E)-5-phenylhex-2-en-1-yl]sulfanyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 4121-0067 |
| Compound Name: | 5-cyclohexyl-5-methyl-2-{[(2E)-5-phenylhex-2-en-1-yl]sulfanyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one |
| Molecular Weight: | 484.7 |
| Molecular Formula: | C31 H36 N2 O S |
| Smiles: | CC(C/C=C/CSC1NC(C2=C(c3ccccc3CC2(C)C2CCCCC2)N=1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.4208 |
| logD: | 8.3536 |
| logSw: | -5.7029 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.279 |
| InChI Key: | UCGFTCLZZOPCMO-UHFFFAOYSA-N |