2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 5731-0004 |
| Compound Name: | 2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 312.43 |
| Molecular Formula: | C18 H20 N2 O S |
| Smiles: | CSC1NC(C2=C(c3ccccc3CC23CCCCC3)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8577 |
| logD: | 3.7152 |
| logSw: | -3.8462 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.551 |
| InChI Key: | FMBPWIGDBKLIDJ-UHFFFAOYSA-N |