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Chemical ID: 5973476
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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