4-phenyl-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Chemical Structure Depiction of
4-phenyl-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
4-phenyl-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Compound characteristics
| Compound ID: | IB04-8014 |
| Compound Name: | 4-phenyl-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C31 H28 N4 O S |
| Smiles: | C1CCC2(C1)Cc1ccccc1C1=C2C(N(c2ccccc2)c2nnc(n12)SCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.32 |
| logD: | 6.32 |
| logSw: | -7.32 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 88.35 |
| InChI Key: | QQBWATULIRTMFH-UHFFFAOYSA-N |