Chemical ID: 6851697

CCOC(=O)c1c(c(sc1NC(=O)c2ccccc2F)C)c3ccc(cc3)Cl
Chemical ID:
6851697
Name [?]:
ethyl 4-(4-chlorophenyl)-2-(2-fluorobenzoyl)amino-5-methyl-thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(sc1NC(=O)c2ccccc2F)C)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H17ClFNO3S/c1-3-27-21(26)18-17(13-8-10-14(22)11-9-13)12(2)28-20(18)24-19(25)15-6-4-5-7-16(15)23/h4-11H,3H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,21,2,16,17,15,18,23,27,24,26,8,22,25,14,19,7,6,12,10,4,28,20,11,13,5,3,9/E:(8,9)(10,11)/rA:28nCCOCOCCCSCNCOCCCCCCFCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s8;s7;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClFNO3S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1128
Area:619.312
Solvation:-4.36998
Coulombic:-45.8474
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.882
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.62
LogP (Chemaxon):5.57

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Descriptor Annotations

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