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Chemical ID: 7284792
Chemical ID:
7284792
Name [?]:
N-[2-methyl-5-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)c3ccc(c(c3)NC(=O)c4ccco4)C
InChi [?]:
InChI=1/C23H19N3O3S/c1-14-5-8-16(9-6-14)19-13-30-23(25-19)26-21(27)17-10-7-15(2)18(12-17)24-22(28)20-4-3-11-29-20/h3-13H,1-2H3,(H,24,28)(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,30,27,26,3,7,18,4,6,17,28,21,9,2,19,5,16,20,8,25,14,23,11,22,12,13,15,24,29,10/E:(5,6)(8,9)/rA:30nCCCCCCCCCSCNNCOCCCCCCNCOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;d25;s26;d27;s25s28;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19N3O3S |
All Atoms: | 49 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4302 |
Area: | 653.245 |
Solvation: | -3.90088 |
Coulombic: | -58.0709 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 417.481 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.16 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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