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Chemical ID: 6041831
Chemical ID:
6041831
Name [?]:
N-butyl-2-(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CCCCNC(=O)CN1c2cc(ccc2OCC1=O)C(C)(C)C
InChi [?]:
InChI=1/C18H26N2O3/c1-5-6-9-19-16(21)11-20-14-10-13(18(2,3)4)7-8-15(14)23-12-17(20)22/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,2,3,13,14,4,11,8,17,12,10,15,6,18,20,5,9,7,19,16/E:(2,3,4)/rA:23nCCCCNCOCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;s12;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91566 |
Area: | 537.853 |
Solvation: | -3.53067 |
Coulombic: | -46.9797 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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