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Chemical ID: 5891995
Chemical ID:
5891995
Name [?]:
N-[3-(2-methoxyethylcarbamoyl)-4-(1-piperidyl)phenyl]thiophene-2-carboxamide
SMILES [?]:
COCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C20H25N3O3S/c1-26-12-9-21-19(24)16-14-15(22-20(25)18-6-5-13-27-18)7-8-17(16)23-10-3-2-4-11-23/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,25,24,11,12,4,15,19,3,26,9,10,8,13,23,6,21,5,20,14,7,22,2,27/E:(3,4)(10,11)/rA:27nCOCCNCOCCCCCCNCCCCCNCOCCCCS/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4198 |
Area: | 620.979 |
Solvation: | -5.10471 |
Coulombic: | -56.6993 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 387.497 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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