5-(4-{[2,4-bis(morpholin-4-yl)-5-nitrophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(4-{[2,4-bis(morpholin-4-yl)-5-nitrophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
5-(4-{[2,4-bis(morpholin-4-yl)-5-nitrophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 8008-7081 |
| Compound Name: | 5-(4-{[2,4-bis(morpholin-4-yl)-5-nitrophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid |
| Molecular Weight: | 555.97 |
| Molecular Formula: | C26 H26 Cl N5 O7 |
| Smiles: | CC1/C(=C/c2cc(c(cc2N2CCOCC2)N2CCOCC2)[N+]([O-])=O)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4088 |
| logD: | -0.3943 |
| logSw: | -3.7377 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.196 |
| InChI Key: | UBTJAQGBXRHVNI-UHFFFAOYSA-N |