Chemical ID: 7020923

COc1ccc(cc1OC)C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl
Chemical ID:
7020923
Name [?]:
2-chloro-N-[5-[(3,4-dimethoxyphenyl)methyleneaminocarbamoyl]pentyl]benzamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C22H26ClN3O4/c1-29-19-12-11-16(14-20(19)30-2)15-25-26-21(27)10-4-3-7-13-24-22(28)17-8-5-6-9-18(17)23/h5-6,8-9,11-12,14-15H,3-4,7,10,13H2,1-2H3,(H,24,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,26,27,19,25,28,16,5,4,20,7,11,6,24,29,3,8,14,22,30,21,12,13,15,23,2,9/rA:30nCOCCCCCCOCCNNCOCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26ClN3O4
All Atoms:56
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.76816
Area:722.641
Solvation:-8.29787
Coulombic:-53.7712
Bond Count [?]
All:31
Single:22
Double:9
Rotors:13
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:431.912
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.58
LogP (Chemaxon):3.4

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