Chemical ID: 5517562

c1ccc(cc1)C(CC(=O)Nc2ncc(s2)Cc3cccc(c3Cl)Cl)c4ccccc4
Chemical ID:
5517562
Name [?]:
N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-3,3-diphenyl-propanamide
SMILES [?]:
c1ccc(cc1)C(CC(=O)Nc2ncc(s2)Cc3cccc(c3Cl)Cl)c4ccccc4
InChi [?]:
InChI=1/C25H20Cl2N2OS/c26-22-13-7-12-19(24(22)27)14-20-16-28-25(31-20)29-23(30)15-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21H,14-15H2,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,29,2,6,28,30,20,3,5,27,31,19,21,17,8,14,4,26,18,15,7,22,9,23,12,25,24,13,11,10,16/E:(1,2)(3,4,5,6)(8,9,10,11)(17,18)/rA:31nCCCCCCCCCONCNCCSCCCCCCCClClCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;s7;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20Cl2N2OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.1473
Area:683.536
Solvation:-3.94112
Coulombic:-29.27
Bond Count [?]
All:34
Single:22
Double:12
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:467.411
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.66
LogP (Chemaxon):7.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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