Chemical ID: 7038817

COc1cc(cc(c1OC)OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
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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