Chemical ID: 4427353

CCOC(=O)C1CCN(CC1)C(=O)CN(c2ccc(c(c2)C(F)(F)F)Cl)S(=O)(=O)C
Chemical ID:
4427353
Name [?]:
ethyl 1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]acetyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)CN(c2ccc(c(c2)C(F)(F)F)Cl)S(=O)(=O)C
InChi [?]:
InChI=1/C18H22ClF3N2O5S/c1-3-29-17(26)12-6-8-23(9-7-12)16(25)11-24(30(2,27)28)13-4-5-15(19)14(10-13)18(20,21)22/h4-5,10,12H,3,6-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,17,18,7,11,8,10,21,14,6,16,20,19,12,4,22,26,23,24,25,9,15,13,5,28,29,3,27/E:(6,7)(8,9)(20,21,22)(27,28)/CRV:30.6/rA:30cCCOCOCCCNCCCOCNCCCCCCCFFFClSOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;s19;s15;d27;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClF3N2O5S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.6013
Area:641.476
Solvation:-5.43558
Coulombic:-56.7659
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:470.892
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.35
LogP (Chemaxon):1.8

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