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Chemical ID: 7027638
Chemical ID:
7027638
Name [?]:
4-amino-N-[4-(4-aminobenzoyl)aminobutyl]benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCCCCNC(=O)c2ccc(cc2)N)N
InChi [?]:
InChI=1/C18H22N4O2/c19-15-7-3-13(4-8-15)17(23)21-11-1-2-12-22-18(24)14-5-9-16(20)10-6-14/h3-10H,1-2,11-12,19-20H2,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:11,12,1,5,18,22,2,4,19,21,10,13,6,17,3,20,7,15,24,23,9,14,8,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24nCCCCCCCONCCCCNCOCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N4O2 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4173 |
Area: | 591.32 |
Solvation: | -3.36571 |
Coulombic: | -77.2638 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 326.393 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 6 |
XLogP: | 1.73 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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