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Chemical ID: 7253844
Chemical ID:
7253844
Name [?]:
2,4-dimethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-benzamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2ccc(cc2)NC(=O)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C23H22N2O5/c1-28-18-10-8-17(9-11-18)24-22(26)15-4-6-16(7-5-15)25-23(27)20-13-12-19(29-2)14-21(20)30-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,30,28,13,17,14,16,5,7,4,8,23,22,25,12,15,6,3,24,21,26,10,19,9,18,11,20,2,29,27/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCOCCCCCCNCOCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O5 |
All Atoms: | 52 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56157 |
Area: | 641.484 |
Solvation: | -7.47553 |
Coulombic: | -62.799 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 406.431 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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