Chemical ID: 5973267

c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(cc3)C(=O)N4CCOCC4
Chemical ID:
5973267
Name [?]:
5-[(4-morpholinocarbonylphenyl)methyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(cc3)C(=O)N4CCOCC4
InChi [?]:
InChI=1/C20H20N2O4/c23-19-14-26-18-4-2-1-3-17(18)22(19)13-15-5-7-16(8-6-15)20(24)21-9-11-25-12-10-21/h1-8H,9-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,18,15,17,22,26,23,25,12,10,13,16,5,4,8,19,21,7,9,20,24,11/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCNCOCOCCCCCCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.49185
Area:539.676
Solvation:-5.00005
Coulombic:-51.1898
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:352.384
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.65
LogP (Chemaxon):1.18

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Descriptor Annotations

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