Chemical ID: 6540769

c1ccc2c(c1)cc(c(=O)o2)C(=O)Nc3ncc(s3)Cc4cccc(c4)C(F)(F)F
Chemical ID:
6540769
Name [?]:
2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-chromene-3-carboxamide
SMILES [?]:
c1ccc2c(c1)cc(c(=O)o2)C(=O)Nc3ncc(s3)Cc4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C21H13F3N2O3S/c22-21(23,24)14-6-3-4-12(8-14)9-15-11-25-20(30-15)26-18(27)16-10-13-5-1-2-7-17(13)29-19(16)28/h1-8,10-11H,9H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,6,24,3,26,20,7,17,21,5,25,18,8,4,12,9,15,27,28,29,30,16,14,13,10,11,19/E:(22,23,24)/rA:30nCCCCCCCCCOOCONCNCCSCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H13F3N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.70429
Area:615.817
Solvation:-5.69115
Coulombic:-63.4614
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:430.401
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.54
LogP (Chemaxon):4.99

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Descriptor Annotations

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