3-cyclohexyl-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-cyclohexyl-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-cyclohexyl-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0099 |
| Compound Name: | 3-cyclohexyl-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 418.6 |
| Molecular Formula: | C26 H30 N2 O S |
| Smiles: | C#CCSC1=NC2=C(C(N1C1CCCCC1)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.0761 |
| logD: | 6.076 |
| logSw: | -5.7385 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.0423 |
| InChI Key: | ZEWYAZINUPGTCC-UHFFFAOYSA-N |