Chemical ID: 6010496

CC(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)c3ccc(cc3)C(F)(F)F
Chemical ID:
6010496
Name [?]:
N-[1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]-4-(trifluoromethyl)benzamide
SMILES [?]:
CC(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C20H17F3N4O3S/c1-11(24-17(29)12-6-8-14(9-7-12)20(21,22)23)16(28)25-19-27-26-18(31-19)13-4-3-5-15(10-13)30-2/h3-11H,1-2H3,(H,24,29)(H,25,27,28)
InChi Info:
AuxInfo=1/1/N:1,18,13,12,14,23,27,24,26,16,2,22,11,25,15,3,20,9,6,28,29,30,31,19,5,8,7,4,21,17,10/E:(6,7)(8,9)(21,22,23)/rA:31cCCCONCNNCSCCCCCCOCNCOCCCCCCCFFF/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s15;s17;s2;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17F3N4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.8088
Area:660.944
Solvation:-5.71481
Coulombic:-73.674
Bond Count [?]
All:33
Single:23
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:450.435
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.72
LogP (Chemaxon):3.41

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Descriptor Annotations

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