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Chemical ID: 6721824
Chemical ID:
6721824
Name [?]:
N-(4-methylcyclohexyl)-4-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-butanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CCC(CC3)C
InChi [?]:
InChI=1/C20H28N2O3/c1-14-5-8-16(9-6-14)21-19(23)4-3-11-22-17-12-15(2)7-10-18(17)25-13-20(22)24/h7,10,12,14,16H,3-6,8-9,11,13H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:25,1,14,15,21,23,3,20,24,4,13,7,11,22,2,19,6,5,16,9,18,8,17,10,12/E:(5,6)(8,9)/rA:25nCCCCCCCNCOCOCCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6627 |
Area: | 578.404 |
Solvation: | -3.79738 |
Coulombic: | -45.7086 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.26 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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