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Chemical ID: 6042051
Chemical ID:
6042051
Name [?]:
N-(1,2-dimethylpropyl)-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC(C)C(C)C
InChi [?]:
InChI=1/C16H22N2O3/c1-10(2)12(4)17-15(19)8-18-13-7-11(3)5-6-14(13)21-9-16(18)20/h5-7,10,12H,8-9H2,1-4H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:20,21,1,18,3,4,7,13,11,19,2,17,6,5,14,9,16,8,15,10,12/E:(1,2)/rA:21cCCCCCCCNCOCOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s17;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.27755 |
Area: | 493.324 |
Solvation: | -4.05556 |
Coulombic: | -45.6063 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 290.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.94 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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