Chemical ID: 6311973

CCc1ccccc1NC(=S)N(Cc2ccc(c(c2OC)OC)OC)C3CCCC3
Chemical ID:
6311973
Name [?]:
1-cyclopentyl-3-(2-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea
SMILES [?]:
CCc1ccccc1NC(=S)N(Cc2ccc(c(c2OC)OC)OC)C3CCCC3
InChi [?]:
InChI=1/C24H32N2O3S/c1-5-17-10-6-9-13-20(17)25-24(30)26(19-11-7-8-12-19)16-18-14-15-21(27-2)23(29-4)22(18)28-3/h6,9-10,13-15,19H,5,7-8,11-12,16H2,1-4H3,(H,25,30)
InChi Info:
AuxInfo=1/1/N:1,25,21,23,2,5,28,29,6,4,27,30,7,15,16,13,3,14,26,8,17,19,18,10,9,12,24,20,22,11/E:(7,8)(11,12)/rA:30nCCCCCCCCNCSNCCCCCCCOCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s18;s22;s17;s24;s12;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.269
Area:594.205
Solvation:-4.58608
Coulombic:-44.5553
Bond Count [?]
All:32
Single:25
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:428.589
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.26
LogP (Chemaxon):4.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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