2-[2-(1H-indol-3-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-[2-(1H-indol-3-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-[2-(1H-indol-3-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0040 |
| Compound Name: | 2-[2-(1H-indol-3-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 480.55 |
| Molecular Formula: | C26 H20 N6 O2 S |
| Smiles: | C(Cc1nc2c3ccccc3nc(n2n1)SCc1cccc(c1)[N+]([O-])=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.9133 |
| logD: | 5.8794 |
| logSw: | -6.3731 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.04 |
| InChI Key: | ZABOKOIUUDCELX-UHFFFAOYSA-N |