Chemical ID: 6025524

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)CC
Chemical ID:
6025524
Name [?]:
N-butyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]propanamide
SMILES [?]:
CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)CC
InChi [?]:
InChI=1/C25H36N2O4S/c1-6-8-13-26(24(28)7-2)18-25(29)27(17-23-19(3)12-15-32-23)14-11-20-9-10-21(30-4)22(16-20)31-5/h9-10,12,15-16H,6-8,11,13-14,17-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,32,28,21,19,2,31,3,13,14,11,25,4,10,26,17,22,6,24,12,15,16,23,29,7,5,9,30,8,20,18,27/rA:32nCCCCNCCONCCCCCCCCOCOCCCCCCSCCOCC/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;s24;s5;d29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H36N2O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.234
Area:729.436
Solvation:-7.00189
Coulombic:-47.723
Bond Count [?]
All:33
Single:26
Double:7
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:460.63
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.12
LogP (Chemaxon):3.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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