Chemical ID: 3936615

CCCN(c1nnc(s1)c2cc(c(c(c2)OC)OC)OC)C(=O)C
Chemical ID:
3936615
Name [?]:
N-propyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-acetamide
SMILES [?]:
CCCN(c1nnc(s1)c2cc(c(c(c2)OC)OC)OC)C(=O)C
InChi [?]:
InChI=1/C16H21N3O4S/c1-6-7-19(10(2)20)16-18-17-15(24-16)11-8-12(21-3)14(23-5)13(9-11)22-4/h8-9H,6-7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,17,21,19,2,3,15,11,22,10,14,12,13,8,5,7,6,4,23,16,20,18,9/E:(3,4)(8,9)(12,13)(21,22)/rA:24nCCCNCNNCSCCCCCCOCOCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s12;s20;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3O4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.48641
Area:560.024
Solvation:-6.51418
Coulombic:-41.6255
Bond Count [?]
All:25
Single:19
Double:6
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:351.422
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.73
LogP (Chemaxon):1.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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