Chemical ID: 5306486

COc1ccccc1C(=O)Nc2nnc(s2)c3ccc(c(c3)OC)OC
Chemical ID:
5306486
Name [?]:
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2nnc(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;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.37843
Area:583.231
Solvation:-8.20235
Coulombic:-45.8974
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:371.411
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.66
LogP (Chemaxon):2.56

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Descriptor Annotations

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