Chemical ID: 5697285

CCOc1ccc(cc1)NC(=S)N(Cc2ccccc2)C(C)C
Chemical ID:
5697285
Name [?]:
1-benzyl-3-(4-ethoxyphenyl)-1-isopropyl-thiourea
SMILES [?]:
CCOc1ccc(cc1)NC(=S)N(Cc2ccccc2)C(C)C
InChi [?]:
InChI=1/C19H24N2OS/c1-4-22-18-12-10-17(11-13-18)20-19(23)21(15(2)3)14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,2,18,17,19,16,20,6,8,5,9,14,21,15,7,4,11,10,13,3,12/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:23nCCOCCCCCCNCSNCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7399
Area:527.773
Solvation:-2.45443
Coulombic:-29.2615
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.473
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.18
LogP (Chemaxon):4.95

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue