Chemical ID: 6316605

CCc1cccc(c1NC(=S)N(Cc2ccccc2OC)C3CCCC3)CC
Chemical ID:
6316605
Name [?]:
1-cyclopentyl-3-(2,6-diethylphenyl)-1-[(2-methoxyphenyl)methyl]thiourea
SMILES [?]:
CCc1cccc(c1NC(=S)N(Cc2ccccc2OC)C3CCCC3)CC
InChi [?]:
InChI=1/C24H32N2OS/c1-4-18-12-10-13-19(5-2)23(18)25-24(28)26(21-14-7-8-15-21)17-20-11-6-9-16-22(20)27-3/h6,9-13,16,21H,4-5,7-8,14-15,17H2,1-3H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,21,2,27,16,24,25,17,5,15,4,6,23,26,18,13,3,7,14,22,19,8,10,9,12,20,11/E:(1,2)(4,5)(7,8)(12,13)(14,15)(18,19)/rA:28nCCCCCCCCNCSNCCCCCCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s12;s22;s23;s24;s22s25;s7;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3253
Area:538.968
Solvation:-2.14886
Coulombic:-30.1798
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.59
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.52
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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