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Chemical ID: 6041904
Chemical ID:
6041904
Name [?]:
N-butyl-4-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-butanamide
SMILES [?]:
CCCCNC(=O)CCCN1c2ccccc2OCC1=O
InChi [?]:
InChI=1/C16H22N2O3/c1-2-3-10-17-15(19)9-6-11-18-13-7-4-5-8-14(13)21-12-16(18)20/h4-5,7-8H,2-3,6,9-12H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,14,15,9,13,16,8,4,10,19,12,17,6,20,5,11,7,21,18/rA:21nCCCCNCOCCCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2666 |
Area: | 519.388 |
Solvation: | -3.7181 |
Coulombic: | -45.6896 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.83 |
LogP (Chemaxon): | 1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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