Chemical ID: 6042045

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC3CCCCNC3=O
Chemical ID:
6042045
Name [?]:
2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(2-oxoazepan-3-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC3CCCCNC3=O
InChi [?]:
InChI=1/C17H21N3O4/c1-11-5-6-14-13(8-11)20(16(22)10-24-14)9-15(21)19-12-4-2-3-7-18-17(12)23/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,23)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,3,4,21,7,13,11,2,17,6,5,14,9,23,22,16,8,15,10,24,12/rA:24cCCCCCCCNCOCOCCONCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;s19;s20;s21;s17s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21N3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.2474
Area:517.637
Solvation:-5.69352
Coulombic:-65.3306
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.366
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.97
LogP (Chemaxon):-0.17

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