2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
Compound ID: | 4209-0008 |
Compound Name: | 2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
Molecular Weight: | 322.43 |
Molecular Formula: | C19 H18 N2 O S |
Smiles: | C#CCSC1NC(C2=C(c3ccccc3CC23CCCC3)N=1)=O |
Stereo: | ACHIRAL |
logP: | 3.5583 |
logD: | 3.4159 |
logSw: | -3.7877 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 34.917 |
InChI Key: | ZQJFEYOEHOUNIS-UHFFFAOYSA-N |