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Chemical ID: 7187313
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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Experimental Annotations
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Descriptor Annotations
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