[(3-cyclohexyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(3-cyclohexyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile
[(3-cyclohexyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | 4184-0098 |
| Compound Name: | [(3-cyclohexyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 419.59 |
| Molecular Formula: | C25 H29 N3 O S |
| Smiles: | C1CCC(CC1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 5.3104 |
| logD: | 5.3103 |
| logSw: | -5.3892 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.534 |
| InChI Key: | VUYIHENMYHJTOP-UHFFFAOYSA-N |