2-(ethylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-(ethylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-(ethylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 2752-0260 |
| Compound Name: | 2-(ethylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C25 H26 N2 O2 S |
| Smiles: | CCSC1=NC2=C(C(N1c1ccc(cc1)OC)=O)C1(CCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.3456 |
| logD: | 5.3244 |
| logSw: | -5.2732 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.119 |
| InChI Key: | FDDIQTJFBGCJGF-UHFFFAOYSA-N |