Chemical ID: 5916851

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C)C(=O)C3CC3
Chemical ID:
5916851
Name [?]:
N-butyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]cyclopropanecarboxamide
SMILES [?]:
CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C)C(=O)C3CC3
InChi [?]:
InChI=1/C26H36N2O4S/c1-5-6-14-28(26(30)21-9-10-21)18-25(29)27(17-22-11-7-19(2)33-22)15-13-20-8-12-23(31-3)24(16-20)32-4/h7-8,11-12,16,21H,5-6,9-10,13-15,17-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,21,19,2,3,25,13,32,33,24,14,11,4,10,17,22,6,26,12,31,23,15,16,7,29,9,5,8,30,20,18,27/E:(9,10)/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;s31s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H36N2O4S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.0874
Area:759.63
Solvation:-6.90332
Coulombic:-48.1253
Bond Count [?]
All:35
Single:28
Double:7
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:472.641
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.78
LogP (Chemaxon):3.24

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