Chemical ID: 6652434

c1ccc(c(c1)C(=O)N2CCOCC2)NC(=O)C(=O)NN=Cc3ccc4c(c3)OCCO4
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

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Descriptor Annotations

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