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Chemical ID: 7038248
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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