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Chemical ID: 6447650
Chemical ID:
6447650
Name [?]:
2-benzhydryl-4-phenyl-thiazole
SMILES [?]:
c1ccc(cc1)c2csc(n2)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C22H17NS/c1-4-10-17(11-5-1)20-16-24-22(23-20)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,21H
InChi Info:
AuxInfo=1/0/N:1,16,22,2,6,15,17,21,23,3,5,14,18,20,24,8,4,13,19,7,12,10,11,9/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(18,19)/rA:24nCCCCCCCCSCNCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s15;d16;d13s17;s12;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17NS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5894 |
Area: | 533.133 |
Solvation: | -1.73888 |
Coulombic: | -11.5503 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.91 |
LogP (Chemaxon): | 6.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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