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Chemical ID: 5523548
Chemical ID:
5523548
Name [?]:
N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-3,3-diphenyl-propanamide
SMILES [?]:
c1ccc(cc1)C(CC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl)c4ccccc4
InChi [?]:
InChI=1/C25H20Cl2N2OS/c26-20-11-12-23(27)19(13-20)14-21-16-28-25(31-21)29-24(30)15-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,16,22H,14-15H2,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,29,2,6,28,30,3,5,27,31,21,22,19,17,8,14,4,26,18,20,15,7,23,9,12,25,24,13,11,10,16/E:(1,2)(3,4,5,6)(7,8,9,10)(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;s20;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: | 13.3567 |
Area: | 691.57 |
Solvation: | -3.93253 |
Coulombic: | -29.0279 |
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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