3-(4-methoxyphenyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(4-methoxyphenyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 2752-0233 |
| Compound Name: | 3-(4-methoxyphenyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 508.68 |
| Molecular Formula: | C32 H32 N2 O2 S |
| Smiles: | COc1ccc(cc1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.2135 |
| logD: | 7.1829 |
| logSw: | -5.6369 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.481 |
| InChI Key: | NOZOSSJRBMVXMM-UHFFFAOYSA-N |