Chemical ID: 5916176

Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CCOC)C(=O)C
Chemical ID:
5916176
Name [?]:
N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CCOC)C(=O)C
InChi [?]:
InChI=1/C20H26N2O3S/c1-16-9-10-19(26-16)14-22(13-18-7-5-4-6-8-18)20(24)15-21(17(2)23)11-12-25-3/h4-10H,11-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,23,13,12,14,11,15,3,4,20,21,9,7,18,2,24,10,5,16,19,8,25,17,22,6/E:(5,6)(7,8)/rA:26nCCCCCSCNCCCCCCCCOCNCCOCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s19;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.776
Area:596.323
Solvation:-6.13206
Coulombic:-39.2185
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:374.498
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.31
LogP (Chemaxon):1.43

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