Chemical ID: 5915005

CCCCCC(=O)N(CCCOC)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2
Chemical ID:
5915005
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-(3-methoxypropyl)hexanamide
SMILES [?]:
CCCCCC(=O)N(CCCOC)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2
InChi [?]:
InChI=1/C27H40N2O5S/c1-5-6-7-11-26(30)28(15-9-17-32-2)21-27(31)29(20-23-10-8-18-35-23)16-14-22-12-13-24(33-3)25(19-22)34-4/h8,10,12-13,18-19H,5-7,9,11,14-17,20-21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,29,27,2,3,4,33,10,32,5,21,22,19,9,18,11,34,25,30,14,20,31,23,24,6,15,8,17,7,16,12,28,26,35/rA:35nCCCCCCONCCCOCCCONCCCCCCCCOCOCCCCCCS/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s8;s14;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s17;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H40N2O5S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.3848
Area:819.824
Solvation:-9.11084
Coulombic:-55.0739
Bond Count [?]
All:36
Single:29
Double:7
Rotors:19
Chiral:0
Rigid Segments:13
Chemical Properties
Molecular Weight:504.683
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.5
LogP (Chemaxon):3.05

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Experimental Annotations

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Descriptor Annotations

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