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Chemical ID: 7038761
Chemical ID:
7038761
Name [?]:
3-methoxy-N-[(3-methoxybenzoyl)amino-(3-methoxyphenyl)-methyl]-benzamide
SMILES [?]:
COc1cccc(c1)C(NC(=O)c2cccc(c2)OC)NC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C24H24N2O5/c1-29-19-10-4-7-16(13-19)22(25-23(27)17-8-5-11-20(14-17)30-2)26-24(28)18-9-6-12-21(15-18)31-3/h4-15,22H,1-3H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,20,31,5,15,26,6,14,25,4,16,27,8,18,29,7,13,24,3,17,28,9,11,22,10,21,12,23,2,19,30/E:(2,3)(5,6)(8,9)(11,12)(14,15)(17,18)(20,21)(23,24)(25,26)(27,28)(30,31)/gE:(1,2)/rA:31nCOCCCCCCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s9;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O5 |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20499 |
Area: | 671.704 |
Solvation: | -7.58761 |
Coulombic: | -65.5136 |
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: | 4.34 |
LogP (Chemaxon): | 3.07 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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