3-({7-[(4-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Chemical Structure Depiction of
3-({7-[(4-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
3-({7-[(4-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Compound characteristics
| Compound ID: | K786-2949 |
| Compound Name: | 3-({7-[(4-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8585 |
| logD: | 4.8585 |
| logSw: | -4.6504 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.406 |
| InChI Key: | KRGXSGJOUWFLKQ-UHFFFAOYSA-N |