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Chemical ID: 7028731
Chemical ID:
7028731
Name [?]:
5-(2,5-dichlorophenyl)-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(ccc1Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl)F
InChi [?]:
InChI=1/C21H13Cl2FN2O2S/c22-13-3-6-17(23)16(10-13)18-7-8-19(28-18)20(27)26-21-25-11-15(29-21)9-12-1-4-14(24)5-2-12/h1-8,10-11H,9H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,5,24,2,4,25,18,17,7,22,9,6,23,3,8,21,26,19,16,14,11,28,27,29,10,13,15,20,12/E:(1,2)(4,5)/rA:29nCCCCCCCCCNCSNCOCCCCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H13Cl2FN2O2S |
All Atoms: | 42 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.262 |
Area: | 658.097 |
Solvation: | -4.19039 |
Coulombic: | -41.2375 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 447.31 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.0 |
LogP (Chemaxon): | 5.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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