Chemical ID: 5973476

c1ccc(cc1)CNC(=O)c2ccc(o2)CN3c4ccccc4OCC3=O
Chemical ID:
5973476
Name [?]:
N-benzyl-5-[(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccc(o2)CN3c4ccccc4OCC3=O
InChi [?]:
InChI=1/C21H18N2O4/c24-20-14-26-18-9-5-4-8-17(18)23(20)13-16-10-11-19(27-16)21(25)22-12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,13,12,7,16,25,4,14,18,23,11,26,9,8,17,27,10,24,15/E:(2,3)(6,7)/rA:27nCCCCCCCNCOCCCCOCNCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s17s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.90867
Area:576.142
Solvation:-4.49488
Coulombic:-56.9647
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:362.379
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.33
LogP (Chemaxon):1.76

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