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Chemical ID: 6042047
Chemical ID:
6042047
Name [?]:
N-hexyl-2-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CCCCCCNC(=O)CN1c2cc(ccc2OCC1=O)C
InChi [?]:
InChI=1/C17H24N2O3/c1-3-4-5-6-9-18-16(20)11-19-14-10-13(2)7-8-15(14)22-12-17(19)21/h7-8,10H,3-6,9,11-12H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,4,5,15,16,6,13,10,19,14,12,17,8,20,7,11,9,21,18/rA:22nCCCCCCNCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86527 |
Area: | 537.634 |
Solvation: | -3.57559 |
Coulombic: | -46.6951 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.89 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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