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Chemical ID: 5973551
Chemical ID:
5973551
Name [?]:
5-[(4-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-N-propyl-furan-2-carboxamide
SMILES [?]:
CCCNC(=O)c1ccc(o1)CN2c3ccc(cc3OCC2=O)C
InChi [?]:
InChI=1/C18H20N2O4/c1-3-8-19-18(22)15-7-5-13(24-15)10-20-14-6-4-12(2)9-16(14)23-11-17(20)21/h4-7,9H,3,8,10-11H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,16,9,15,8,3,18,12,21,17,10,14,7,19,22,5,4,13,23,6,20,11/rA:24nCCCNCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37246 |
Area: | 540.009 |
Solvation: | -4.12776 |
Coulombic: | -55.4616 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 328.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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