Chemical ID: 6667925

CCc1cccc(c1)NC(=O)Oc2ccc(cc2)SC
Chemical ID:
6667925
Name [?]:
(4-methylsulfanylphenyl) (3-ethylphenyl)aminoformate
SMILES [?]:
CCc1cccc(c1)NC(=O)Oc2ccc(cc2)SC
InChi [?]:
InChI=1/C16H17NO2S/c1-3-12-5-4-6-13(11-12)17-16(18)19-14-7-9-15(20-2)10-8-14/h4-11H,3H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,2,5,4,6,14,18,15,17,8,3,7,13,16,10,9,11,12,19/E:(7,8)(9,10)/rA:20nCCCCCCCCNCOOCCCCCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.7223
Area:500.216
Solvation:-1.78308
Coulombic:-35.8938
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.378
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):5.2

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Descriptor Annotations

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