Chemical ID: 7442660

Cc1ccccc1C(=O)N=c2[nH]nc(s2)c3ccc(c(c3)OC)OC
Chemical ID:
7442660
Name [?]:
N-[5-(3,4-dimethoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N=c2[nH]nc(s2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C18H17N3O3S/c1-11-6-4-5-7-13(11)16(22)19-18-21-20-17(25-18)12-8-9-14(23-2)15(10-12)24-3/h4-10H,1-3H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,4,5,3,6,17,18,21,2,16,7,19,20,8,14,11,10,13,12,9,24,22,15/rA:25nCCCCCCCCONCNNCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;w10;s11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O3S
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.3199
Area:563.271
Solvation:-4.76189
Coulombic:-43.8139
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:355.412
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.02
LogP (Chemaxon):4.17

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Descriptor Annotations

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