3-[(furan-2-yl)methyl]-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-[(furan-2-yl)methyl]-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0603 |
| Compound Name: | 3-[(furan-2-yl)methyl]-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C24 H26 N2 O3 S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(Cc2ccco2)C(=N1)SCCO)=O |
| Stereo: | ACHIRAL |
| logP: | 4.239 |
| logD: | 4.239 |
| logSw: | -4.2023 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.225 |
| InChI Key: | HDCQEVGWIPEULJ-UHFFFAOYSA-N |