Chemical ID: 3980278

CC(C1(C2C(C(N1)c3cccc(c3)C(F)(F)F)C(=O)N(C2=O)C4CCCCC4)C(=O)O)O
Chemical ID:
3980278
Name [?]:
3-cyclohexyl-8-(1-hydroxyethyl)-2,4-dioxo-6-[3-(trifluoromethyl)phenyl]-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CC(C1(C2C(C(N1)c3cccc(c3)C(F)(F)F)C(=O)N(C2=O)C4CCCCC4)C(=O)O)O
InChi [?]:
InChI=1/C22H25F3N2O5/c1-11(28)21(20(31)32)16-15(18(29)27(19(16)30)14-8-3-2-4-9-14)17(26-21)12-6-5-7-13(10-12)22(23,24)25/h5-7,10-11,14-17,26,28H,2-4,8-9H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,10,9,11,24,28,13,2,8,12,23,5,4,6,18,21,29,3,14,15,16,17,7,20,32,19,22,30,31/E:(3,4)(8,9)(23,24,25)(31,32)/rA:32cCCCCCCNCCCCCCCFFFCONCOCCCCCCCOOO/rB:s1;s2;s3;s4;s5;s3s6;s6;s8;d9;s10;d11;d8s12;s12;s14;s14;s14;s5;d18;s18;s4s20;d21;s20;s23;s24;s25;s26;s23s27;s3;d29;s29;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25F3N2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:5
ZAP Information [?]
Total:6.92426
Area:552.594
Solvation:-6.8906
Coulombic:-93.6521
Bond Count [?]
All:35
Single:29
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:454.44
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.81
LogP (Chemaxon):0.05

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