4-[(7-chloro-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-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-[(7-chloro-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: | 2526-0010 |
| Compound Name: | 4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 400.78 |
| Molecular Formula: | C17 H13 Cl N6 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)Nc1cc(c2c(c1[N+]([O-])=O)non2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.021 |
| logD: | -1.2654 |
| logSw: | -3.6366 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.474 |
| InChI Key: | VEBFQFOWBNEFAP-UHFFFAOYSA-N |