Chemical ID: 4131306

COc1ccc(cc1OC)C(=O)NCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl
Chemical ID:
4131306
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneaminocarbamoylmethyl]-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)NCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H26ClN3O6/c1-33-21-11-7-19(13-24(21)35-3)26(32)28-15-25(31)30-29-14-18-6-10-22(23(12-18)34-2)36-16-17-4-8-20(27)9-5-17/h4-14H,15-16H2,1-3H3,(H,28,32)(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,27,10,31,35,21,5,32,34,22,4,25,7,19,14,29,30,20,6,33,3,23,24,8,15,11,36,13,18,17,16,12,2,26,9,28/E:(4,5)(8,9)/rA:36nCOCCCCCCOCCONCCONNCCCCCCCOCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s29;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26ClN3O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.75045
Area:800.037
Solvation:-11.2505
Coulombic:-68.4115
Bond Count [?]
All:38
Single:26
Double:12
Rotors:13
Chiral:1
Rigid Segments:11
Chemical Properties
Molecular Weight:511.954
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:4.62
LogP (Chemaxon):3.45

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