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Chemical ID: 6042077
Chemical ID:
6042077
Name [?]:
4-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[2-(1-piperidyl)ethyl]butanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCCN3CCCCC3
InChi [?]:
InChI=1/C20H29N3O3/c1-16-7-8-18-17(14-16)23(20(25)15-26-18)12-5-6-19(24)21-9-13-22-10-3-2-4-11-22/h7-8,14H,2-6,9-13,15H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,14,15,3,4,19,22,26,13,20,7,11,2,6,5,16,9,18,21,8,17,10,12/E:(3,4)(10,11)/rA:26nCCCCCCCNCOCOCCCCONCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7648 |
Area: | 606.561 |
Solvation: | -4.39928 |
Coulombic: | -49.6185 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.463 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.64 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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