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Chemical ID: 7349162
Chemical ID:
7349162
Name [?]:
N-[5-chloro-2-(1-piperidyl)phenyl]-5-methyl-thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(s1)C(=O)Nc2cc(ccc2N3CCCCC3)Cl
InChi [?]:
InChI=1/C17H19ClN2OS/c1-12-5-8-16(22-12)17(21)19-14-11-13(18)6-7-15(14)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,3,13,14,4,17,21,11,2,12,10,15,5,7,22,9,16,8,6/E:(3,4)(9,10)/rA:22nCCCCCSCONCCCCCCNCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19ClN2OS |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6107 |
Area: | 535.833 |
Solvation: | -1.78511 |
Coulombic: | -30.1446 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 334.864 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.56 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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