2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0023 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 513.06 |
| Molecular Formula: | C30 H25 Cl N2 O2 S |
| Smiles: | C1CCC2(C1)Cc1ccccc1C1=C2C(N(C(=N1)SCC(c1ccc(cc1)[Cl])=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3759 |
| logD: | 6.3144 |
| logSw: | -6.3307 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.55 |
| InChI Key: | WJSSLURAWRPVIJ-UHFFFAOYSA-N |