Chemical ID: 5973348

Cc1ccc2c(c1)OCC(=O)N2Cc3ccc(cc3)C(=O)NCC(C)C
Chemical ID:
5973348
Name [?]:
N-isobutyl-4-[(8-methyl-3-oxo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-2-yl)methyl]benzamide
SMILES [?]:
Cc1ccc2c(c1)OCC(=O)N2Cc3ccc(cc3)C(=O)NCC(C)C
InChi [?]:
InChI=1/C21H24N2O3/c1-14(2)11-22-21(25)17-7-5-16(6-8-17)12-23-18-9-4-15(3)10-19(18)26-13-20(23)24/h4-10,14H,11-13H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:25,26,1,3,15,19,16,18,4,7,23,13,9,24,2,14,17,5,6,10,20,22,12,11,21,8/E:(1,2)(5,6)(7,8)/rA:26nCCCCCCCOCCONCCCCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s5s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.977
Area:579.038
Solvation:-3.499
Coulombic:-48.7002
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.427
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.43
LogP (Chemaxon):2.95

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