Chemical ID: 7457178

COc1ccccc1C(=O)N=c2[nH]nc(s2)c3ccc(c(c3)OC)OC
Chemical ID:
7457178
Name [?]:
N-[5-(3,4-dimethoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)N=c2[nH]nc(s2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C18H17N3O4S/c1-23-13-7-5-4-6-12(13)16(22)19-18-21-20-17(26-18)11-8-9-14(24-2)15(10-11)25-3/h4-10H,1-3H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,24,6,5,7,4,18,19,22,17,8,3,20,21,9,15,12,11,14,13,10,2,25,23,16/rA:26nCOCCCCCCCONCNNCSCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;w11;s12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O4S
All Atoms:43
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:7.96622
Area:584.491
Solvation:-6.64605
Coulombic:-49.396
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.49
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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