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Chemical ID: 7028932
Chemical ID:
7028932
Name [?]:
5-(3-chlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4c(cccc4Cl)Cl
InChi [?]:
InChI=1/C21H13Cl3N2O2S/c22-13-4-1-3-12(9-13)18-7-8-19(28-18)20(27)26-21-25-11-14(29-21)10-15-16(23)5-2-6-17(15)24/h1-9,11H,10H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,25,2,6,24,26,9,10,4,21,18,3,5,19,22,23,27,8,11,13,16,7,29,28,17,15,14,12,20/E:(5,6)(16,17)(23,24)/rA:29nCCCCCCClCCCCOCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s22;d23;s24;d25;d22s26;s27;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H13Cl3N2O2S |
All Atoms: | 42 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7267 |
Area: | 668.898 |
Solvation: | -2.99574 |
Coulombic: | -38.8707 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 463.764 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.46 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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