3-(2-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(2-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(2-methoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 3455-1294 |
| Compound Name: | 3-(2-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: | COc1ccccc1N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC#C |
| Stereo: | ACHIRAL |
| logP: | 5.4277 |
| logD: | 5.1968 |
| logSw: | -5.2368 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.539 |
| InChI Key: | GYIIWBFUWQUOAX-UHFFFAOYSA-N |