1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | J084-0842 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C26 H21 N5 O S |
| Smiles: | Cc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3827 |
| logD: | 5.3534 |
| logSw: | -5.5336 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.733 |
| InChI Key: | SKMJSRUWXSQSQG-UHFFFAOYSA-N |