methyl 4-(4-{[4-(morpholin-4-yl)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(4-{[4-(morpholin-4-yl)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
methyl 4-(4-{[4-(morpholin-4-yl)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 3871-0108 |
| Compound Name: | methyl 4-(4-{[4-(morpholin-4-yl)phenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | COC(c1ccc(cc1)N1C(C(=C/c2ccc(cc2)N2CCOCC2)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2704 |
| logD: | 2.1871 |
| logSw: | -2.5733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.295 |
| InChI Key: | VYYZPGHLSMRHOV-RGEXLXHISA-N |