Chemical ID: 5917343

CCNC(=O)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(C)C
Chemical ID:
5917343
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethylcarbamoyl-isopropyl-amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCNC(=O)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(C)C
InChi [?]:
InChI=1/C23H33N3O4S/c1-6-24-23(28)26(17(2)3)16-22(27)25(15-19-8-7-13-31-19)12-11-18-9-10-20(29-4)21(14-18)30-5/h7-10,13-14,17H,6,11-12,15-16H2,1-5H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,30,31,22,20,2,26,25,14,15,12,11,27,18,23,7,29,13,24,16,17,8,4,3,10,6,9,5,21,19,28/E:(2,3)/rA:31nCCNCONCCONCCCCCCCCOCOCCCCCCSCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;d24;s25;d26;s24s27;s6;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.133
Area:684.222
Solvation:-6.97258
Coulombic:-61.6445
Bond Count [?]
All:32
Single:25
Double:7
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:447.592
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.31
LogP (Chemaxon):2.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue