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Chemical ID: 6042750
Chemical ID:
6042750
Name [?]:
5-[(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-N-sec-butyl-furan-2-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C
InChi [?]:
InChI=1/C19H22N2O4/c1-4-13(3)20-19(23)17-8-6-14(25-17)10-21-15-9-12(2)5-7-16(15)24-11-18(21)22/h5-9,13H,4,10-11H2,1-3H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,25,4,2,18,10,19,9,16,13,22,17,3,11,15,20,8,23,6,5,14,24,7,21,12/rA:25cCCCCNCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s8s11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s14s22;d23;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.76095 |
Area: | 554.688 |
Solvation: | -4.10626 |
Coulombic: | -55.5629 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.3 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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