3-benzyl-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-benzyl-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-benzyl-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0592 |
| Compound Name: | 3-benzyl-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C26 H28 N2 O2 S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(Cc2ccccc2)C(=N1)SCCO)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9856 |
| logD: | 4.9856 |
| logSw: | -4.5588 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.476 |
| InChI Key: | OQBUZTJEIVJGJB-UHFFFAOYSA-N |