1-(2-{[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
Chemical Structure Depiction of
1-(2-{[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
1-(2-{[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
Compound characteristics
| Compound ID: | 8007-4301 |
| Compound Name: | 1-(2-{[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C10 H14 N8 O3 S2 |
| Smiles: | CCCCSc1nnc(NC(Cn2c[n+](cn2)[N-][N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.5619 |
| logD: | 1.5593 |
| logSw: | -2.1967 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.611 |
| InChI Key: | NZZUGOPIOGUNSK-UHFFFAOYSA-N |