Chemical ID: 6807079

Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCc3ccc4c(c3)OCO4
Chemical ID:
6807079
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-4-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-butanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C21H22N2O5/c1-14-4-6-17-16(9-14)23(21(25)12-26-17)8-2-3-20(24)22-11-15-5-7-18-19(10-15)28-13-27-18/h4-7,9-10H,2-3,8,11-13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,14,15,3,21,4,22,13,7,25,19,11,27,2,20,6,5,23,24,16,9,18,8,17,10,12,28,26/rA:28nCCCCCCCNCOCOCCCCONCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O5
All Atoms:50
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.77999
Area:616.418
Solvation:-5.63046
Coulombic:-61.2773
Bond Count [?]
All:31
Single:23
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:382.41
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.39
LogP (Chemaxon):1.88

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