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Chemical ID: 7038817
Chemical ID:
7038817
Name [?]:
N-[benzamido-(3,4,5-trimethoxyphenyl)-methyl]benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H24N2O5/c1-29-19-14-18(15-20(30-2)21(19)31-3)22(25-23(27)16-10-6-4-7-11-16)26-24(28)17-12-8-5-9-13-17/h4-15,22H,1-3H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,12,10,20,29,19,21,28,30,18,22,27,31,4,6,17,26,5,3,7,8,13,15,24,14,23,16,25,2,11,9/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(19,20)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:31nCOCCCCCCOCOCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s13;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O5 |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50836 |
Area: | 649.317 |
Solvation: | -7.72457 |
Coulombic: | -67.1886 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 420.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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