3-(3-methoxyphenyl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(3-methoxyphenyl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 5218-3159 |
| Compound Name: | 3-(3-methoxyphenyl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 474.67 |
| Molecular Formula: | C29 H34 N2 O2 S |
| Smiles: | CC(C)CCSC1=NC2=C(C(N1c1cccc(c1)OC)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.0758 |
| logD: | 7.0723 |
| logSw: | -5.6143 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.753 |
| InChI Key: | XXYALMKGAAXVAX-UHFFFAOYSA-N |