2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0022 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 450.99 |
| Molecular Formula: | C25 H23 Cl N2 O2 S |
| Smiles: | CN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1203 |
| logD: | 5.1201 |
| logSw: | -5.4391 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.199 |
| InChI Key: | OKYPPUIWMIREGP-UHFFFAOYSA-N |