3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0024 |
| Compound Name: | 3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 527.09 |
| Molecular Formula: | C31 H27 Cl N2 O2 S |
| Smiles: | C1CCC2(C1)Cc1ccccc1C1=C2C(N(Cc2ccccc2)C(=N1)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9793 |
| logD: | 6.9793 |
| logSw: | -6.4471 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.162 |
| InChI Key: | JVRLJBUWOIVGSB-UHFFFAOYSA-N |