3-benzyl-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-benzyl-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-benzyl-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0018 |
| Compound Name: | 3-benzyl-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 492.68 |
| Molecular Formula: | C32 H32 N2 O S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(Cc2ccccc2)C(=N1)SCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7131 |
| logD: | 7.713 |
| logSw: | -6.0205 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.5491 |
| InChI Key: | JJHUAYLDBBSQTA-UHFFFAOYSA-N |