2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 3448-2323 |
| Compound Name: | 2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 354.51 |
| Molecular Formula: | C21 H26 N2 O S |
| Smiles: | CCCCSC1NC(C2=C(c3ccccc3CC23CCCCC3)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4005 |
| logD: | 5.3442 |
| logSw: | -5.2345 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.551 |
| InChI Key: | UYCNVISHEFSJBX-UHFFFAOYSA-N |