Chemical ID: 7097143

CCCC(=O)Nc1nnc(s1)c2cc(c(c(c2)OC)OC)OC
Chemical ID:
7097143
Name [?]:
N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILES [?]:
CCCC(=O)Nc1nnc(s1)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C15H19N3O4S/c1-5-6-12(19)16-15-18-17-14(23-15)9-7-10(20-2)13(22-4)11(8-9)21-3/h7-8H,5-6H2,1-4H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,23,21,2,3,17,13,12,16,14,4,15,10,7,6,9,8,5,18,22,20,11/E:(2,3)(7,8)(10,11)(20,21)/rA:23nCCCCONCNNCSCCCCCCOCOCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s14;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O4S
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.54041
Area:551.236
Solvation:-7.2405
Coulombic:-44.9878
Bond Count [?]
All:24
Single:18
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:337.395
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.63
LogP (Chemaxon):1.85

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Descriptor Annotations

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