Chemical ID: 4121934

COc1ccc(cc1)CCNCc2ccc(cc2)SC
Chemical ID:
4121934
Name [?]:
2-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
SMILES [?]:
COc1ccc(cc1)CCNCc2ccc(cc2)SC
InChi [?]:
InChI=1/C17H21NOS/c1-19-16-7-3-14(4-8-16)11-12-18-13-15-5-9-17(20-2)10-6-15/h3-10,18H,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,5,7,14,18,4,8,15,17,9,10,12,6,13,3,16,11,2,19/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCOCCCCCCCCNCCCCCCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.1661
Area:524.947
Solvation:-2.95758
Coulombic:-19.1184
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:287.421
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.06
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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