Chemical ID: 7457266

COc1ccc(cc1OC)c2n[nH]c(=NC(=O)c3ccccc3)s2
Chemical ID:
7457266
Name [?]:
N-[5-(3,4-dimethoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]benzamide
SMILES [?]:
COc1ccc(cc1OC)c2n[nH]c(=NC(=O)c3ccccc3)s2
InChi [?]:
InChI=1/C17H15N3O3S/c1-22-13-9-8-12(10-14(13)23-2)16-19-20-17(24-16)18-15(21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,21,20,22,19,23,5,4,7,18,6,3,8,16,11,14,15,12,13,17,2,9,24/E:(4,5)(6,7)/rA:24nCOCCCCCCOCCNNCNCOCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;w14;s15;d16;s16;s18;d19;s20;d21;d18s22;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O3S
All Atoms:39
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:8.98892
Area:551.352
Solvation:-4.79488
Coulombic:-43.8752
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.58
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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