Chemical ID: 6625233

CCOc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cccc(c3)OCC=C
Chemical ID:
6625233
Name [?]:
N'-[(3-allyloxyphenyl)methyleneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-oxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cccc(c3)OCC=C
InChi [?]:
InChI=1/C27H26N4O5/c1-3-16-36-22-9-7-8-19(17-22)18-28-31-27(34)26(33)30-24-11-6-5-10-23(24)25(32)29-20-12-14-21(15-13-20)35-4-2/h3,5-15,17-18H,1,4,16H2,2H3,(H,29,32)(H,30,33)(H,31,34)
InChi Info:
AuxInfo=1/1/N:36,1,35,2,15,16,29,28,30,14,17,6,8,5,9,34,32,26,27,7,4,31,13,18,11,20,22,25,10,19,24,12,21,23,3,33/E:(12,13)(14,15)/rA:36nCCOCCCCCCNCOCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;d22;s22;s24;w25;s26;s27;d28;s29;d30;d27s31;s31;s33;s34;d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26N4O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:12.7325
Area:768.953
Solvation:-6.49127
Coulombic:-81.9078
Bond Count [?]
All:38
Single:24
Double:14
Rotors:14
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:486.519
H-Bond Donors:3
H-Bond Acceptors:9
XLogP:5.29
LogP (Chemaxon):4.61

Name Annotations

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Descriptor Annotations

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