Chemical ID: 5916781

CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C3CC3
Chemical ID:
5916781
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide
SMILES [?]:
CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C3CC3
InChi [?]:
InChI=1/C26H36N2O5S/c1-4-33-15-6-13-28(26(30)21-9-10-21)19-25(29)27(18-22-7-5-16-34-22)14-12-20-8-11-23(31-2)24(17-20)32-3/h5,7-8,11,16-17,21H,4,6,9-10,12-15,18-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,2,27,5,26,15,33,34,16,13,6,12,4,28,19,24,8,14,32,25,17,18,9,30,11,7,10,31,22,20,3,29/E:(9,10)/rA:34nCCOCCCNCCONCCCCCCCCOCOCCCCCCSCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s11;s24;d25;s26;d27;s25s28;s7;d30;s30;s32;s32s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H36N2O5S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.0322
Area:783.981
Solvation:-8.56736
Coulombic:-55.012
Bond Count [?]
All:36
Single:29
Double:7
Rotors:17
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:488.641
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.17
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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