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Chemical ID: 4900170
Chemical ID:
4900170
Name [?]:
5-bromo-N-[5-[(5-bromo-3-pyridyl)carbonylamino]pentyl]pyridine-3-carboxamide
SMILES [?]:
c1c(cncc1Br)C(=O)NCCCCCNC(=O)c2cc(cnc2)Br
InChi [?]:
InChI=1/C17H18Br2N4O2/c18-14-6-12(8-20-10-14)16(24)22-4-2-1-3-5-23-17(25)13-7-15(19)11-21-9-13/h6-11H,1-5H2,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:13,12,14,11,15,1,20,3,24,5,22,2,19,6,21,8,17,7,25,4,23,10,16,9,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)/gE:(1,2)/rA:25nCCCNCCBrCONCCCCCNCOCCCCNCBr/rB:s1;d2;s3;d4;d1s5;s6;s2;d8;s8;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18Br2N4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1991 |
Area: | 637.751 |
Solvation: | -3.7447 |
Coulombic: | -52.0995 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 470.159 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.81 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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