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Chemical ID: 6782653
Chemical ID:
6782653
Name [?]:
N-cyclohexyl-2-(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-butanamide
SMILES [?]:
CCC(C(=O)NC1CCCCC1)N2c3cc(ccc3OCC2=O)C(C)(C)C
InChi [?]:
InChI=1/C22H32N2O3/c1-5-17(21(26)23-16-9-7-6-8-10-16)24-18-13-15(22(2,3)4)11-12-19(18)27-14-20(24)25/h11-13,16-17H,5-10,14H2,1-4H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,25,26,27,2,10,9,11,8,12,17,18,15,21,16,7,3,14,19,22,4,24,6,13,23,5,20/E:(2,3,4)(7,8)(9,10)/rA:27cCCCCONCCCCCCNCCCCCCOCCOCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s7s11;s3;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s16;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H32N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0556 |
Area: | 586.358 |
Solvation: | -3.6034 |
Coulombic: | -47.7677 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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