Chemical ID: 7256240

c1cc(ccc1c2csc(n2)NC(=O)c3cnccn3)[N+](=O)[O-]
Chemical ID:
7256240
Name [?]:
N-[4-(4-nitrophenyl)thiazol-2-yl]pyrazine-2-carboxamide
SMILES [?]:
c1cc(ccc1c2csc(n2)NC(=O)c3cnccn3)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H9N5O3S/c20-13(11-7-15-5-6-16-11)18-14-17-12(8-23-14)9-1-3-10(4-2-9)19(21)22/h1-8H,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,18,19,16,8,6,3,15,7,13,10,17,20,11,12,21,14,22,23,9/E:(1,2)(3,4)(21,22)/CRV:19.5/rA:23nCCCCCCCCSCNNCOCCNCCNN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9N5O3S
All Atoms:32
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.76877
Area:524.445
Solvation:-8.34236
Coulombic:-49.0216
Bond Count [?]
All:25
Single:15
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:327.319
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.67
LogP (Chemaxon):2.17

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Descriptor Annotations

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