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Chemical ID: 6384920
Chemical ID:
6384920
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-3,3-diphenyl-propanamide
SMILES [?]:
c1ccc(cc1)C(CC(=O)Nc2nc(cs2)c3ccc(cc3)Cl)c4ccccc4
InChi [?]:
InChI=1/C24H19ClN2OS/c25-20-13-11-19(12-14-20)22-16-29-24(26-22)27-23(28)15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,16,21H,15H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,27,2,6,26,28,3,5,25,29,18,22,19,21,8,15,4,24,17,20,7,14,9,12,23,13,11,10,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:29nCCCCCCCCCONCNCCSCCCCCCClCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s7;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19ClN2OS |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9285 |
Area: | 645.49 |
Solvation: | -3.20876 |
Coulombic: | -30.1273 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 418.939 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.92 |
LogP (Chemaxon): | 7.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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