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Chemical ID: 3951089
Chemical ID:
3951089
Name [?]:
N-(2,6-dimethylphenyl)-2-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)CN2c3ccccc3OCC2=O)C
InChi [?]:
InChI=1/C18H18N2O3/c1-12-6-5-7-13(2)18(12)19-16(21)10-20-14-8-3-4-9-15(14)23-11-17(20)22/h3-9H,10-11H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,15,16,4,3,5,14,17,11,20,2,6,13,18,9,21,7,8,12,10,22,19/E:(1,2)(6,7)(12,13)/rA:23nCCCCCCCNCOCNCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;d21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21693 |
Area: | 488.525 |
Solvation: | -3.9962 |
Coulombic: | -45.6183 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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