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Chemical ID: 5973023
Chemical ID:
5973023
Name [?]:
N-isobutyl-4-(8-methyl-3-oxo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-2-yl)-butanamide
SMILES [?]:
Cc1ccc2c(c1)OCC(=O)N2CCCC(=O)NCC(C)C
InChi [?]:
InChI=1/C17H24N2O3/c1-12(2)10-18-16(20)5-4-8-19-14-7-6-13(3)9-15(14)22-11-17(19)21/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:21,22,1,14,15,3,4,13,7,19,9,20,2,5,6,16,10,18,12,17,11,8/E:(1,2)/rA:22nCCCCCCCOCCONCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s5s10;s12;s13;s14;s15;d16;s16;s18;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7269 |
Area: | 535.558 |
Solvation: | -3.66205 |
Coulombic: | -45.4884 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.0 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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