N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0963 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C18 H21 N5 O5 |
| Smiles: | C1CCC(CCNc2c(nn(c3ccc4c(c3)OCCO4)[n+]2[O-])[N+]([O-])=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3575 |
| logD: | 2.3575 |
| logSw: | -2.6476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.262 |
| InChI Key: | WEVJTGIQMKLNNU-UHFFFAOYSA-N |