N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-amine
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | 8018-1539 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 343.3 |
| Molecular Formula: | C14 H13 N7 O4 |
| Smiles: | Cc1c(c(c2nc(Nc3ccc4c(c3)OCCO4)[nH]n2)[nH]n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0412 |
| logD: | 1.017 |
| logSw: | -2.074 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.781 |
| InChI Key: | SJSCHXFAYNHBIG-UHFFFAOYSA-N |