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Chemical ID: 3898872
Chemical ID:
3898872
Name [?]:
4-bromo-N-(2,5-dimethoxy-4-pentanoylamino-phenyl)-benzamide
SMILES [?]:
CCCCC(=O)Nc1cc(c(cc1OC)NC(=O)c2ccc(cc2)Br)OC
InChi [?]:
InChI=1/C20H23BrN2O4/c1-4-5-6-19(24)22-15-11-18(27-3)16(12-17(15)26-2)23-20(25)13-7-9-14(21)10-8-13/h7-12H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,15,27,2,3,4,20,24,21,23,9,12,19,22,8,11,13,10,5,17,25,7,16,6,18,14,26/E:(7,8)(9,10)/rA:27nCCCCCONCCCCCCOCNCOCCCCCCBrOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s10;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23BrN2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4849 |
Area: | 621.054 |
Solvation: | -4.04146 |
Coulombic: | -57.7814 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 435.312 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.84 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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