Chemical ID: 6735792

Cc1ccc2c(c1)N(C(=O)CO2)C(C)C(=O)NC3CCCC3
Chemical ID:
6735792
Name [?]:
N-cyclopentyl-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-propanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)C(C)C(=O)NC3CCCC3
InChi [?]:
InChI=1/C17H22N2O3/c1-11-7-8-15-14(9-11)19(16(20)10-22-15)12(2)17(21)18-13-5-3-4-6-13/h7-9,12-13H,3-6,10H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,14,20,21,19,22,3,4,7,11,2,13,18,6,5,9,15,17,8,10,16,12/E:(3,4)(5,6)/rA:22cCCCCCCCNCOCOCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s13;d15;s15;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3
All Atoms:44
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.66794
Area:493.392
Solvation:-3.66687
Coulombic:-46.0815
Bond Count [?]
All:24
Single:19
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.368
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.19
LogP (Chemaxon):1.72

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