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Chemical ID: 6042030
Chemical ID:
6042030
Name [?]:
N-butyl-2-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CCCCNC(=O)CN1c2cc(ccc2OCC1=O)C
InChi [?]:
InChI=1/C15H20N2O3/c1-3-4-7-16-14(18)9-17-12-8-11(2)5-6-13(12)20-10-15(17)19/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,13,14,4,11,8,17,12,10,15,6,18,5,9,7,19,16/rA:20nCCCCNCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;s12;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56954 |
Area: | 485.713 |
Solvation: | -3.57327 |
Coulombic: | -46.0865 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.75 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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