N-(4-{[4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{[4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide
N-(4-{[4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide
Compound characteristics
| Compound ID: | 4061-0090 |
| Compound Name: | N-(4-{[4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide |
| Molecular Weight: | 382.38 |
| Molecular Formula: | C18 H18 N6 O4 |
| Smiles: | CC(Nc1ccc(cc1)Nc1cc(c2c(c1[N+]([O-])=O)non2)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2119 |
| logD: | 4.2119 |
| logSw: | -4.4516 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.872 |
| InChI Key: | FUELFUPLCQCGRH-UHFFFAOYSA-N |