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Chemical ID: 5941549
Chemical ID:
5941549
Name [?]:
N-[4-[2-(1-piperidyl)thiazol-4-yl]phenyl]furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)Nc2ccc(cc2)c3csc(n3)N4CCCCC4
InChi [?]:
InChI=1/C19H19N3O2S/c23-18(17-5-4-12-24-17)20-15-8-6-14(7-9-15)16-13-25-19(21-16)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:23,22,24,1,2,11,13,10,14,21,25,5,16,12,9,15,3,6,18,8,19,20,7,4,17/E:(2,3)(6,7)(8,9)(10,11)/rA:25nCCCOCCONCCCCCCCCSCNNCCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s16;s17;s15d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0183 |
Area: | 565.722 |
Solvation: | -3.12471 |
Coulombic: | -43.5373 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 353.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.6 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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