Chemical ID: 4874024

Cc1cc(c(s1)C)C(=NNC(=O)c2c(n(nn2)c3c(non3)N)C(C)C)C
Chemical ID:
4874024
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(2,5-dimethyl-3-thienyl)ethylideneamino]-5-isopropyl-triazole-4-carboxamide
SMILES [?]:
Cc1cc(c(s1)C)C(=NNC(=O)c2c(n(nn2)c3c(non3)N)C(C)C)C
InChi [?]:
InChI=1/C16H20N8O2S/c1-7(2)13-12(19-23-24(13)15-14(17)21-26-22-15)16(25)20-18-9(4)11-6-8(3)27-10(11)5/h6-7H,1-5H3,(H2,17,21)(H,20,25)
InChi Info:
AuxInfo=1/1/N:25,26,1,27,7,3,24,2,8,5,4,13,14,19,18,11,23,9,17,10,20,22,16,15,12,21,6/E:(1,2)/rA:27nCCCCCSCCNNCOCCNNNCCNONNCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;w8;s9;s10;d11;s11;d13;s14;s15;s13d16;s15;s18;d19;s20;d18s21;s19;s14;s24;s24;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N8O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1885
Area:596.784
Solvation:-2.73107
Coulombic:-46.7845
Bond Count [?]
All:29
Single:21
Double:8
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:388.449
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.35
LogP (Chemaxon):1.58

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Descriptor Annotations

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