Chemical ID: 7038248

COc1cccc(c1)C(=O)NC(c2ccc(c(c2)OC)OCc3ccccc3)NC(=O)c4cccc(c4)OC
Chemical ID:
7038248
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)-(3-methoxybenzoyl)amino-methyl]-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)NC(c2ccc(c(c2)OC)OCc3ccccc3)NC(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C31H30N2O6/c1-36-25-13-7-11-23(17-25)30(34)32-29(33-31(35)24-12-8-14-26(18-24)37-2)22-15-16-27(28(19-22)38-3)39-20-21-9-5-4-6-10-21/h4-19,29H,20H2,1-3H3,(H,32,34)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,39,20,26,25,27,5,34,24,28,6,33,4,35,14,15,8,37,18,22,23,13,7,32,3,36,16,17,12,9,30,11,29,10,31,2,38,19,21/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(23,24)(25,26)(30,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:39cCOCCCCCCCONCCCCCCCOCOCCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s22;s23;d24;s25;d26;d23s27;s12;s29;d30;s30;s32;d33;s34;d35;d32s36;s36;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H30N2O6
All Atoms:69
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:10.1494
Area:811.505
Solvation:-10.1382
Coulombic:-73.5532
Bond Count [?]
All:42
Single:28
Double:14
Rotors:13
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:526.58
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:5.7
LogP (Chemaxon):4.59

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