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Chemical ID: 6041892
Chemical ID:
6041892
Name [?]:
N-hexyl-4-(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-butanamide
SMILES [?]:
CCCCCCNC(=O)CCCN1c2cc(ccc2OCC1=O)C(C)(C)C
InChi [?]:
InChI=1/C22H34N2O3/c1-5-6-7-8-13-23-20(25)10-9-14-24-18-15-17(22(2,3)4)11-12-19(18)27-16-21(24)26/h11-12,15H,5-10,13-14,16H2,1-4H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,27,2,3,4,5,11,10,17,18,6,12,15,21,16,14,19,8,22,24,7,13,9,23,20/E:(2,3,4)/rA:27nCCCCCCNCOCCCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s16;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H34N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5918 |
Area: | 650.114 |
Solvation: | -3.66102 |
Coulombic: | -46.9914 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.517 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.79 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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