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Chemical ID: 5452299
Chemical ID:
5452299
Name [?]:
N-cycloheptyl-2-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]-acetamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)N(C)CC(=O)NC2CCCCCC2)OC
InChi [?]:
InChI=1/C18H28N2O4S/c1-14-10-11-16(24-3)17(12-14)25(22,23)20(2)13-18(21)19-15-8-6-4-5-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,12,25,20,21,19,22,18,23,3,4,7,13,2,17,5,6,14,16,11,15,9,10,24,8/E:(4,5)(6,7)(8,9)(22,23)/CRV:25.6/rA:25cCCCCCCCSOONCCCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s11;s13;d14;s14;s16;s17;s18;s19;s20;s21;s17s22;s5;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.68201 |
Area: | 550.295 |
Solvation: | -4.07535 |
Coulombic: | -36.2451 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.492 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.03 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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