2-({7-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Chemical Structure Depiction of
2-({7-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
2-({7-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Compound characteristics
| Compound ID: | K786-2840 |
| Compound Name: | 2-({7-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C19 H18 N6 O5 S |
| Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.5558 |
| logD: | 4.5546 |
| logSw: | -4.3952 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.723 |
| InChI Key: | ZYVXYXANIFTTCA-UHFFFAOYSA-N |