[3-(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
Chemical Structure Depiction of
[3-(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
[3-(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
Compound characteristics
| Compound ID: | 6190-0073 |
| Compound Name: | [3-(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid |
| Molecular Weight: | 519.5 |
| Molecular Formula: | C22 H17 N9 O5 S |
| Smiles: | C(C(O)=O)N1C(C(/c2ccccc12)=N/NC(c1c(CSc2ccccc2)n(c2c(N)non2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0451 |
| logD: | -2.9803 |
| logSw: | -2.4372 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 160.574 |
| InChI Key: | IVJHPFVGFOOYAW-UHFFFAOYSA-N |