Chemical ID: 5916836

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C)C(=O)CCC
Chemical ID:
5916836
Name [?]:
N-butyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]butanamide
SMILES [?]:
CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C)C(=O)CCC
InChi [?]:
InChI=1/C26H38N2O4S/c1-6-8-15-27(25(29)9-7-2)19-26(30)28(18-22-12-10-20(3)33-22)16-14-21-11-13-23(31-4)24(17-21)32-5/h10-13,17H,6-9,14-16,18-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,33,28,21,19,2,32,3,31,25,13,24,14,11,4,10,17,22,6,26,12,23,15,16,29,7,5,9,30,8,20,18,27/rA:33nCCCCNCCONCCCCCCCCOCOCCCCCCSCCOCCC/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;s26;s5;d29;s29;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H38N2O4S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.4306
Area:774.151
Solvation:-6.9232
Coulombic:-48.2071
Bond Count [?]
All:34
Single:27
Double:7
Rotors:16
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:474.657
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.39
LogP (Chemaxon):3.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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