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Chemical ID: 5373154
Chemical ID:
5373154
Name [?]:
N-(5-nitrothiazol-2-yl)-2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccccc1c2nnc(o2)SCC(=O)Nc3ncc(s3)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H11N5O4S2/c1-8-4-2-3-5-9(8)12-17-18-14(23-12)24-7-10(20)16-13-15-6-11(25-13)19(21)22/h2-6H,7H2,1H3,(H,15,16,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,20,14,2,7,15,21,8,18,11,19,17,9,10,23,16,24,25,12,13,22/E:(21,22)/CRV:19.5/rA:25nCCCCCCCCNNCOSCCONCNCCSN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s11;s13;s14;d15;s15;s17;d18;s19;d20;s18s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11N5O4S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.55777 |
Area: | 582.04 |
Solvation: | -8.99323 |
Coulombic: | -52.4143 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 377.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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