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Chemical ID: 6652434
Chemical ID:
6652434
Name [?]:
N'-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylmethyleneamino)-N-(2-morpholinocarbonylphenyl)-oxamide
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCOCC2)NC(=O)C(=O)NN=Cc3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C22H22N4O6/c27-20(21(28)25-23-14-15-5-6-18-19(13-15)32-12-11-31-18)24-17-4-2-1-3-16(17)22(29)26-7-9-30-10-8-26/h1-6,13-14H,7-12H2,(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,24,25,10,14,11,13,31,30,28,22,23,5,4,26,27,16,18,7,21,15,20,9,17,19,8,12,32,29/E:(7,8)(9,10)/rA:32nCCCCCCCONCCOCCNCOCONNCCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;s15;d16;s16;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s27;s29;s30;s26s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N4O6 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54677 |
Area: | 652.034 |
Solvation: | -6.75407 |
Coulombic: | -84.6432 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 438.433 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 10 |
XLogP: | 2.22 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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