Chemical ID: 3951245

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCCCC3C
Chemical ID:
3951245
Name [?]:
8-methyl-5-[(2-methyl-1-piperidyl)carbonylmethyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCCCC3C
InChi [?]:
InChI=1/C17H22N2O3/c1-12-6-7-15-14(9-12)19(17(21)11-22-15)10-16(20)18-8-4-3-5-13(18)2/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,19,18,20,3,4,17,7,13,11,2,21,6,5,14,9,16,8,15,10,12/rA:22cCCCCCCCNCOCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;s19;s16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.06223
Area:482.635
Solvation:-4.00364
Coulombic:-40.4795
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.368
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.87
LogP (Chemaxon):1.37

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Descriptor Annotations

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