2-[(2-hydroxyethyl)sulfanyl]-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-[(2-hydroxyethyl)sulfanyl]-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-[(2-hydroxyethyl)sulfanyl]-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0587 |
| Compound Name: | 2-[(2-hydroxyethyl)sulfanyl]-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C20 H24 N2 O2 S |
| Smiles: | CN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCCO |
| Stereo: | ACHIRAL |
| logP: | 3.1266 |
| logD: | 3.1264 |
| logSw: | -3.3078 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.514 |
| InChI Key: | TYWJRNIMNQICSC-UHFFFAOYSA-N |