Chemical ID: 6009306

c1ccc(cc1)CCC(=O)N(CC2CCCO2)CC(=O)Nc3nccs3
Chemical ID:
6009306
Name [?]:
3-phenyl-N-(tetrahydrofuran-2-ylmethyl)-N-(thiazol-2-ylcarbamoylmethyl)propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)N(CC2CCCO2)CC(=O)Nc3nccs3
InChi [?]:
InChI=1/C19H23N3O3S/c23-17(21-19-20-10-12-26-19)14-22(13-16-7-4-11-25-16)18(24)9-8-15-5-2-1-3-6-15/h1-3,5-6,10,12,16H,4,7-9,11,13-14H2,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,3,5,14,7,8,24,16,25,12,18,4,13,19,9,22,23,21,11,20,10,17,26/E:(2,3)(5,6)/rA:26cCCCCCCCCCONCCCCCOCCONCNCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s13s16;s11;s18;d19;s19;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.67242
Area:612.899
Solvation:-5.65005
Coulombic:-49.081
Bond Count [?]
All:28
Single:21
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:373.47
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.21
LogP (Chemaxon):2.28

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