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Chemical ID: 6042790
Chemical ID:
6042790
Name [?]:
N-ethoxy-5-[(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide
SMILES [?]:
CCONC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C
InChi [?]:
InChI=1/C17H18N2O5/c1-3-23-18-17(21)15-7-5-12(24-15)9-19-13-8-11(2)4-6-14(13)22-10-16(19)20/h4-8H,3,9-10H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,17,9,18,8,15,12,21,16,10,14,19,7,22,5,4,13,23,6,20,3,11/rA:24nCCONCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55319 |
Area: | 534.598 |
Solvation: | -5.81177 |
Coulombic: | -53.0119 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 330.335 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.64 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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