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Chemical ID: 3939936
Chemical ID:
3939936
Name [?]:
N-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]cyclohexanecarboxamide
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C19H28N2O4S/c1-25-17-7-9-18(10-8-17)26(23,24)21-13-11-16(12-14-21)20-19(22)15-5-3-2-4-6-15/h7-10,15-16H,2-6,11-14H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,4,8,5,7,14,16,13,17,21,15,3,6,19,18,12,20,10,11,2,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(23,24)/CRV:26.6/rA:26nCOCCCCCCSOONCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s14;s15;s12s16;s15;s18;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5548 |
Area: | 589.635 |
Solvation: | -4.18606 |
Coulombic: | -35.4396 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.503 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.98 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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