Chemical ID: 7288460

c1ccc(cc1)CNCc2csc(n2)c3ccccc3
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

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Descriptor Annotations

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