3-[(furan-2-yl)methyl]-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-[(furan-2-yl)methyl]-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 5218-3268 |
| Compound Name: | 3-[(furan-2-yl)methyl]-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 448.63 |
| Molecular Formula: | C27 H32 N2 O2 S |
| Smiles: | CC(C)CCSC1=NC2=C(C(N1Cc1ccco1)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.6473 |
| logD: | 6.6473 |
| logSw: | -5.5183 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.569 |
| InChI Key: | DBKPSVSOVFAEGV-UHFFFAOYSA-N |