1,5-dimethyl-4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
1,5-dimethyl-4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4061-0038 |
| Compound Name: | 1,5-dimethyl-4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 451.44 |
| Molecular Formula: | C21 H21 N7 O5 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)Nc1cc(c2c(c1[N+]([O-])=O)non2)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.5503 |
| logD: | -0.3453 |
| logSw: | -2.998 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.534 |
| InChI Key: | RIPPNTHVYJJIIZ-UHFFFAOYSA-N |