1-(3,4-dichlorophenyl)-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
1-(3,4-dichlorophenyl)-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | K280-0034 |
| Compound Name: | 1-(3,4-dichlorophenyl)-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 532.45 |
| Molecular Formula: | C27 H19 Cl2 N5 O S |
| Smiles: | C(Cc1nc2c3ccccc3nc(n2n1)SCC(c1ccc(c(c1)[Cl])[Cl])=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.0954 |
| logD: | 7.081 |
| logSw: | -6.6609 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.905 |
| InChI Key: | KBLAEJISMTXYCS-UHFFFAOYSA-N |