Chemical ID: 5373154

Cc1ccccc1c2nnc(o2)SCC(=O)Nc3ncc(s3)[N+](=O)[O-]
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

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Descriptor Annotations

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