Chemical ID: 3951282

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC3CC3
Chemical ID:
3951282
Name [?]:
N-cyclopropyl-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC3CC3
InChi [?]:
InChI=1/C14H16N2O3/c1-9-2-5-12-11(6-9)16(14(18)8-19-12)7-13(17)15-10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,4,7,13,11,2,17,6,5,14,9,16,8,15,10,12/E:(3,4)/rA:19nCCCCCCCNCOCOCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.04583
Area:448.205
Solvation:-4.15929
Coulombic:-44.5849
Bond Count [?]
All:21
Single:16
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:260.289
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.95
LogP (Chemaxon):0.39

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Descriptor Annotations

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