Chemical ID: 6625009

CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)OCC
Chemical ID:
6625009
Name [?]:
N-[(4-butoxyphenyl)methyleneamino]-N'-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-oxamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C28H30N4O5/c1-3-5-18-37-23-14-10-20(11-15-23)19-29-32-28(35)27(34)31-25-9-7-6-8-24(25)26(33)30-21-12-16-22(17-13-21)36-4-2/h6-17,19H,3-5,18H2,1-2H3,(H,30,33)(H,31,34)(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,37,2,36,3,23,22,24,21,8,10,30,34,7,11,31,33,4,12,9,29,32,6,25,20,26,17,15,13,28,19,14,27,18,16,35,5/E:(10,11)(12,13)(14,15)(16,17)/rA:37nCCCCOCCCCCCCNNCOCONCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H30N4O5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.7394
Area:797.211
Solvation:-6.19085
Coulombic:-81.3018
Bond Count [?]
All:39
Single:26
Double:13
Rotors:15
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:502.562
H-Bond Donors:3
H-Bond Acceptors:9
XLogP:6.03
LogP (Chemaxon):5.08

Name Annotations

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Descriptor Annotations

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