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Chemical ID: 7256240
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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