4-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4061-0057 |
| Compound Name: | 4-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 463.5 |
| Molecular Formula: | C23 H25 N7 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)Nc1cc(c2c(c1[N+]([O-])=O)non2)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2049 |
| logD: | 1.3092 |
| logSw: | -4.3819 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.957 |
| InChI Key: | DZOJLJJBUYLRAF-UHFFFAOYSA-N |