2-[(7-{[(4-methoxyphenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate
Chemical Structure Depiction of
2-[(7-{[(4-methoxyphenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate
2-[(7-{[(4-methoxyphenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate
Compound characteristics
| Compound ID: | K786-1549 |
| Compound Name: | 2-[(7-{[(4-methoxyphenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate |
| Molecular Weight: | 418.43 |
| Molecular Formula: | C18 H18 N4 O6 S |
| Smiles: | CC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8274 |
| logD: | 3.8274 |
| logSw: | -4.1747 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.95 |
| InChI Key: | OBBAGVNFZKZEQI-UHFFFAOYSA-N |