Chemical ID: 7062053

c1cc(cc(c1)C(F)(F)F)c2ccc(o2)C(=O)Nc3ccc(cc3)C(=O)OCC4CCCO4
Chemical ID:
7062053
Name [?]:
tetrahydrofuran-2-ylmethyl 4-[[5-[3-(trifluoromethyl)phenyl]-2-furyl]carbonylamino]benzoate
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)C(=O)Nc3ccc(cc3)C(=O)OCC4CCCO4
InChi [?]:
InChI=1/C24H20F3NO5/c25-24(26,27)17-4-1-3-16(13-17)20-10-11-21(33-20)22(29)28-18-8-6-15(7-9-18)23(30)32-14-19-5-2-12-31-19/h1,3-4,6-11,13,19H,2,5,12,14H2,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,31,2,6,30,21,23,20,24,12,13,32,4,28,22,3,5,19,29,11,14,16,25,7,8,9,10,18,17,26,33,27,15/E:(6,7)(8,9)(25,26,27)/rA:33cCCCCCCCFFFCCCCOCONCCCCCCCOOCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s12;d13;s11s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;s28;s29;s30;s31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20F3NO5
All Atoms:53
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.72
Area:689.94
Solvation:-5.52849
Coulombic:-77.9234
Bond Count [?]
All:36
Single:26
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:459.415
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.86
LogP (Chemaxon):4.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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