Chemical ID: 7028950

c1ccc(cc1)Cc2cnc(s2)NC(=O)NC(=O)c3ccc(o3)c4cccc(c4)Cl
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

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Descriptor Annotations

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