Chemical ID: 5930823

CCCNC(=O)C1CSC(N1C(=O)c2ccccc2Cl)c3ccc(cc3)F
Chemical ID:
5930823
Name [?]:
3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-thiazolidine-4-carboxamide
SMILES [?]:
CCCNC(=O)C1CSC(N1C(=O)c2ccccc2Cl)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H20ClFN2O2S/c1-2-11-23-18(25)17-12-27-20(13-7-9-14(22)10-8-13)24(17)19(26)15-5-3-4-6-16(15)21/h3-10,17,20H,2,11-12H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,22,26,23,25,3,8,21,24,14,19,7,5,12,10,20,27,4,11,6,13,9/E:(7,8)(9,10)/rA:27cCCCNCOCCSCNCOCCCCCCClCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s10;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClFN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:9.74633
Area:570.754
Solvation:-4.52252
Coulombic:-44.6147
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:406.902
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.62
LogP (Chemaxon):4.08

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Descriptor Annotations

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