3-(prop-2-en-1-yl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-(prop-2-en-1-yl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(prop-2-en-1-yl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0087 |
| Compound Name: | 3-(prop-2-en-1-yl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 362.49 |
| Molecular Formula: | C22 H22 N2 O S |
| Smiles: | C=CCN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC#C |
| Stereo: | ACHIRAL |
| logP: | 4.4955 |
| logD: | 4.4955 |
| logSw: | -4.559 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.4366 |
| InChI Key: | BOAPKFNIIOJHAK-UHFFFAOYSA-N |