Chemical ID: 5423535

CCN(Cc1ccccc1)C(=S)Nc2ccccc2OC
Chemical ID:
5423535
Name [?]:
1-benzyl-1-ethyl-3-(2-methoxyphenyl)-thiourea
SMILES [?]:
CCN(Cc1ccccc1)C(=S)Nc2ccccc2OC
InChi [?]:
InChI=1/C17H20N2OS/c1-3-19(13-14-9-5-4-6-10-14)17(21)18-15-11-7-8-12-16(15)20-2/h4-12H,3,13H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,2,8,7,9,16,17,6,10,15,18,4,5,14,19,11,13,3,20,12/E:(5,6)(9,10)/rA:21nCCNCCCCCCCCSNCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.60056
Area:496.864
Solvation:-2.82104
Coulombic:-29.5347
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.42
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.3
LogP (Chemaxon):4.19

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Descriptor Annotations

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