Chemical ID: 5915026

CC(C)CC(=O)N(CCCOC)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2
Chemical ID:
5915026
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-(3-methoxypropyl)-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)N(CCCOC)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2
InChi [?]:
InChI=1/C26H38N2O5S/c1-20(2)16-25(29)27(12-7-14-31-3)19-26(30)28(18-22-8-6-15-34-22)13-11-21-9-10-23(32-4)24(17-21)33-5/h6,8-10,15,17,20H,7,11-14,16,18-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,12,28,26,32,9,31,20,21,18,8,17,10,33,4,24,29,13,2,19,30,22,23,5,14,7,16,6,15,11,27,25,34/E:(1,2)/rA:34nCCCCCONCCCOCCCONCCCCCCCCOCOCCCCCCS/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s11;s7;s13;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s16;s29;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H38N2O5S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.5265
Area:770.359
Solvation:-8.73253
Coulombic:-54.8739
Bond Count [?]
All:35
Single:28
Double:7
Rotors:17
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:490.656
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.87
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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