3-(2-phenylethyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(2-phenylethyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(2-phenylethyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0147 |
| Compound Name: | 3-(2-phenylethyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 440.61 |
| Molecular Formula: | C28 H28 N2 O S |
| Smiles: | C#CCSC1=NC2=C(C(N1CCc1ccccc1)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.1494 |
| logD: | 6.1492 |
| logSw: | -5.7538 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.7991 |
| InChI Key: | RIBHGCNTMRIMTN-UHFFFAOYSA-N |