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Chemical ID: 5295380
Chemical ID:
5295380
Name [?]:
N-butyl-2-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CCCCNC(=O)CN1c2ccccc2OCC1=O
InChi [?]:
InChI=1/C14H18N2O3/c1-2-3-8-15-13(17)9-16-11-6-4-5-7-12(11)19-10-14(16)18/h4-7H,2-3,8-10H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,12,13,11,14,4,8,17,10,15,6,18,5,9,7,19,16/rA:19nCCCCNCOCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96317 |
Area: | 460.929 |
Solvation: | -3.56007 |
Coulombic: | -46.2912 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.32 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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