Chemical ID: 6042058

Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCC3
Chemical ID:
6042058
Name [?]:
8-methyl-5-(3-pyrrolidin-1-ylcarbonylpropyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCC3
InChi [?]:
InChI=1/C17H22N2O3/c1-13-6-7-15-14(11-13)19(17(21)12-22-15)10-4-5-16(20)18-8-2-3-9-18/h6-7,11H,2-5,8-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,14,15,3,4,19,22,13,7,11,2,6,5,16,9,18,8,17,10,12/E:(2,3)(8,9)/rA:22nCCCCCCCNCOCOCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.82805
Area:513.769
Solvation:-4.01618
Coulombic:-39.7607
Bond Count [?]
All:24
Single:19
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.368
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.57
LogP (Chemaxon):0.99

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Descriptor Annotations

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