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Chemical ID: 5973574
Chemical ID:
5973574
Name [?]:
5-[(3-acetyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-N-isopropyl-furan-2-carboxamide
SMILES [?]:
CC(C)NC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C(=O)C
InChi [?]:
InChI=1/C19H20N2O5/c1-11(2)20-19(24)17-7-5-14(26-17)9-21-15-8-13(12(3)22)4-6-16(15)25-10-18(21)23/h4-8,11H,9-10H2,1-3H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,3,26,17,9,18,8,15,12,21,2,24,16,10,14,19,7,22,5,4,13,25,23,6,20,11/E:(1,2)/rA:26nCCCNCOCCCCOCNCCCCCCOCCOCOC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s7s10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s16;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91336 |
Area: | 560.935 |
Solvation: | -5.11001 |
Coulombic: | -61.655 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.34 |
LogP (Chemaxon): | 0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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