Chemical ID: 4900170

c1c(cncc1Br)C(=O)NCCCCCNC(=O)c2cc(cnc2)Br
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

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