Chemical ID: 7187313

CCn1c(c(cn1)CNC(=O)c2cc(c(s2)C)C)C
Chemical ID:
7187313
Name [?]:
N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4,5-dimethyl-thiophene-2-carboxamide
SMILES [?]:
CCn1c(c(cn1)CNC(=O)c2cc(c(s2)C)C)C
InChi [?]:
InChI=1/C14H19N3OS/c1-5-17-10(3)12(8-16-17)7-15-14(18)13-6-9(2)11(4)19-13/h6,8H,5,7H2,1-4H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,2,13,8,6,14,4,15,5,12,10,9,7,3,11,16/rA:19nCCNCCCNCNCOCCCCSCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;s9;d10;s10;d12;s13;d14;s12s15;s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N3OS
All Atoms:38
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.84552
Area:495.587
Solvation:-2.54416
Coulombic:-25.7524
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.386
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.31
LogP (Chemaxon):1.23

Name Annotations

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Descriptor Annotations

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