4-(4-methoxyphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Chemical Structure Depiction of
4-(4-methoxyphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
4-(4-methoxyphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Compound characteristics
| Compound ID: | 4232-0031 |
| Compound Name: | 4-(4-methoxyphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C24 H22 N4 O2 S |
| Smiles: | COc1ccc(cc1)N1C(C2=C(c3ccccc3CC23CCCC3)n2c1nnc2S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0426 |
| logD: | 2.2942 |
| logSw: | -4.2934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.431 |
| InChI Key: | XIZIVOVBFRJYIP-UHFFFAOYSA-N |