Chemical ID: 7456726

CCC(=O)N=c1[nH]nc(s1)c2ccc(c(c2)OC)OC
Chemical ID:
7456726
Name [?]:
N-[5-(3,4-dimethoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]propanamide
SMILES [?]:
CCC(=O)N=c1[nH]nc(s1)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C13H15N3O3S/c1-4-11(17)14-13-16-15-12(20-13)8-5-6-9(18-2)10(7-8)19-3/h5-7H,4H2,1-3H3,(H,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,20,18,2,12,13,16,11,14,15,3,9,6,5,8,7,4,19,17,10/rA:20nCCCONCNNCSCCCCCCOCOC/rB:s1;s2;d3;s3;w5;s6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N3O3S
All Atoms:35
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:7.37528
Area:491.546
Solvation:-4.91338
Coulombic:-40.4621
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.12
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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