Chemical ID: 6008972

CCc1ccc(cc1)C(=O)N(CCCOC)CC(=O)Nc2nc(cs2)C
Chemical ID:
6008972
Name [?]:
4-ethyl-N-(3-methoxypropyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCCOC)CC(=O)Nc2nc(cs2)C
InChi [?]:
InChI=1/C19H25N3O3S/c1-4-15-6-8-16(9-7-15)18(24)22(10-5-11-25-3)12-17(23)21-19-20-14(2)13-26-19/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,16,2,13,4,8,5,7,12,14,17,24,23,3,6,18,9,21,22,20,11,19,10,15,25/E:(6,7)(8,9)/rA:26nCCCCCCCCCONCCCOCCCONCNCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s11;s17;d18;s18;s20;d21;s22;d23;s21s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2147
Area:619.072
Solvation:-5.26212
Coulombic:-50.8089
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:375.486
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.5
LogP (Chemaxon):2.45

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