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Chemical ID: 5916836
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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