2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0594 |
| Compound Name: | 2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C26 H28 N2 O2 S |
| Smiles: | Cc1cccc(c1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCCO |
| Stereo: | ACHIRAL |
| logP: | 5.0021 |
| logD: | 4.8442 |
| logSw: | -4.4844 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.865 |
| InChI Key: | OIRDLFUBKOLVDI-UHFFFAOYSA-N |