3-(3-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(3-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 5218-3154 |
| Compound Name: | 3-(3-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C27 H26 N2 O2 S |
| Smiles: | COc1cccc(c1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC#C |
| Stereo: | ACHIRAL |
| logP: | 5.7322 |
| logD: | 5.6813 |
| logSw: | -5.3398 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.753 |
| InChI Key: | LZBUZSQHBIYYIF-UHFFFAOYSA-N |