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Chemical ID: 7288460
Chemical ID:
7288460
Name [?]:
1-phenyl-N-[(2-phenylthiazol-4-yl)methyl]methanamine
SMILES [?]:
c1ccc(cc1)CNCc2csc(n2)c3ccccc3
InChi [?]:
InChI=1/C17H16N2S/c1-3-7-14(8-4-1)11-18-12-16-13-20-17(19-16)15-9-5-2-6-10-15/h1-10,13,18H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,18,2,6,17,19,3,5,16,20,7,9,11,4,15,10,13,8,14,12/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCCCCCCNCCCSCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s12;s10d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2S |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7009 |
Area: | 503.095 |
Solvation: | -1.87648 |
Coulombic: | -18.0209 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.388 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.68 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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