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Chemical ID: 5930823
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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