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Chemical ID: 7028950
Chemical ID:
7028950
Name [?]:
N-[(5-benzylthiazol-2-yl)carbamoyl]-5-(3-chlorophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)Cc2cnc(s2)NC(=O)NC(=O)c3ccc(o3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C22H16ClN3O3S/c23-16-8-4-7-15(12-16)18-9-10-19(29-18)20(27)25-21(28)26-22-24-13-17(30-22)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H2,24,25,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,3,5,25,27,21,20,7,29,9,4,24,28,8,22,19,17,14,11,30,10,16,13,18,15,23,12/E:(2,3)(5,6)/rA:30nCCCCCCCCCNCSNCONCOCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s17;d19;s20;d21;s19s22;s22;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16ClN3O3S |
All Atoms: | 46 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2411 |
Area: | 679.777 |
Solvation: | -4.75336 |
Coulombic: | -58.7278 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 437.9 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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