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Chemical ID: 4423563
Chemical ID:
4423563
Name [?]:
5-(2,5-dioxopyrrolidin-1-yl)-2-morpholino-N-(p-tolyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc(ccc2N3CCOCC3)N4C(=O)CCC4=O
InChi [?]:
InChI=1/C22H23N3O4/c1-15-2-4-16(5-3-15)23-22(28)18-14-17(25-20(26)8-9-21(25)27)6-7-19(18)24-10-12-29-13-11-24/h2-7,14H,8-13H2,1H3,(H,23,28)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,14,15,26,27,18,22,19,21,12,2,5,13,11,16,24,28,9,8,17,23,25,29,10,20/E:(2,3)(4,5)(8,9)(10,11)(12,13)(20,21)(26,27)/rA:29nCCCCCCCNCOCCCCCCNCCOCCNCOCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s20;s17s21;s13;s23;d24;s24;s26;s23s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82048 |
Area: | 603.824 |
Solvation: | -6.27512 |
Coulombic: | -56.6941 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.436 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.96 |
LogP (Chemaxon): | 2.3 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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