2-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
Chemical Structure Depiction of
2-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
2-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
Compound characteristics
| Compound ID: | K786-2862 |
| Compound Name: | 2-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C22 H26 N4 O5 S |
| Smiles: | CCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1cc(ccc1C)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.94 |
| logD: | 6.94 |
| logSw: | -5.5321 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.709 |
| InChI Key: | ODDAWRPVZKDYFP-UHFFFAOYSA-N |