4-{[6-(4-iodoanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[6-(4-iodoanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[6-(4-iodoanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8008-2080 |
| Compound Name: | 4-{[6-(4-iodoanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 540.32 |
| Molecular Formula: | C21 H17 I N8 O2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)Nc1c(Nc2ccc(cc2)I)nc2c(n1)non2 |
| Stereo: | ACHIRAL |
| logP: | 4.3371 |
| logD: | 3.4022 |
| logSw: | -4.3272 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.927 |
| InChI Key: | DPDUOBPTOWVVLF-UHFFFAOYSA-N |