3-ethyl-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-ethyl-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-ethyl-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0081 |
| Compound Name: | 3-ethyl-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 396.59 |
| Molecular Formula: | C24 H32 N2 O S |
| Smiles: | CCN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.0918 |
| logD: | 6.0918 |
| logSw: | -5.2897 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.817 |
| InChI Key: | WJMISQGQMCNVQC-UHFFFAOYSA-N |