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Chemical ID: 3939055
Chemical ID:
3939055
Name [?]:
N-(9-cyclohexyl-9-azabicyclo[3.3.1]non-7-yl)thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)NC2CC3CCCC(C2)N3C4CCCCC4
InChi [?]:
InChI=1/C19H28N2OS/c22-19(18-10-5-11-23-18)20-14-12-16-8-4-9-17(13-14)21(16)15-6-2-1-3-7-15/h5,10-11,14-17H,1-4,6-9,12-13H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:21,20,22,13,1,19,23,12,14,2,5,10,16,9,18,11,15,3,6,8,17,7,4/E:(2,3)(6,7)(8,9)(12,13)(16,17)/rA:23cCCCSCCONCCCCCCCCNCCCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;s11;s12;s13;s14;s9s15;s11s15;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.5134 |
Area: | 523.581 |
Solvation: | -1.57611 |
Coulombic: | -29.0219 |
Bond Count [?]
All: | 26 |
Single: | 23 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.61 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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