2-[(2-hydroxyethyl)sulfanyl]-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-[(2-hydroxyethyl)sulfanyl]-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-[(2-hydroxyethyl)sulfanyl]-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0588 |
| Compound Name: | 2-[(2-hydroxyethyl)sulfanyl]-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C22 H28 N2 O2 S |
| Smiles: | CCCN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCCO |
| Stereo: | ACHIRAL |
| logP: | 4.1729 |
| logD: | 4.1728 |
| logSw: | -4.0131 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.726 |
| InChI Key: | QIJPKPVENIAWSB-UHFFFAOYSA-N |