Chemical ID: 5916759

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)N(C)C
Chemical ID:
5916759
Name [?]:
2-(butyl-(dimethylcarbamoyl)amino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)N(C)C
InChi [?]:
InChI=1/C24H35N3O4S/c1-6-7-13-27(24(29)25(2)3)18-23(28)26(17-20-9-8-15-32-20)14-12-19-10-11-21(30-4)22(16-19)31-5/h8-11,15-16H,6-7,12-14,17-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,31,32,21,19,2,3,25,24,13,14,11,4,10,26,17,22,6,12,23,15,16,7,28,30,9,5,8,29,20,18,27/E:(2,3)/rA:32nCCCCNCCONCCCCCCCCOCOCCCCCCSCONCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s9;s22;d23;s24;d25;s23s26;s5;d28;s28;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H35N3O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.0174
Area:720.041
Solvation:-6.98357
Coulombic:-57.8414
Bond Count [?]
All:33
Single:26
Double:7
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:461.619
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.5
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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