(1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-3-[4-(morpholin-4-yl)phenyl]-7-{[4-(morpholin-4-yl)phenyl]methylidene}-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Chemical Structure Depiction of
(1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-3-[4-(morpholin-4-yl)phenyl]-7-{[4-(morpholin-4-yl)phenyl]methylidene}-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
(1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-3-[4-(morpholin-4-yl)phenyl]-7-{[4-(morpholin-4-yl)phenyl]methylidene}-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Compound characteristics
| Compound ID: | Y501-7394 |
| Compound Name: | (1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-3-[4-(morpholin-4-yl)phenyl]-7-{[4-(morpholin-4-yl)phenyl]methylidene}-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone |
| Molecular Weight: | 625.73 |
| Molecular Formula: | C34 H39 N7 O5 |
| Smiles: | CCn1cc(c(C(N2C(C3CCC/C(=C\c4ccc(cc4)N4CCOCC4)C3=N2)c2ccc(cc2)N2CCOCC2)=O)n1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.573 |
| logD: | 4.5729 |
| logSw: | -4.3719 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 96.4 |
| InChI Key: | LGWHSOQDLXGCQF-UHFFFAOYSA-N |