2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4209-0003 |
| Compound Name: | 2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 340.49 |
| Molecular Formula: | C20 H24 N2 O S |
| Smiles: | CCCCSC1NC(C2=C(c3ccccc3CC23CCCC3)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9618 |
| logD: | 4.9055 |
| logSw: | -4.5934 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.917 |
| InChI Key: | ROYHJSQMYPUXNV-UHFFFAOYSA-N |