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Chemical ID: 3951087
Chemical ID:
3951087
Name [?]:
2-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CN2c3ccccc3OCC2=O
InChi [?]:
InChI=1/C17H16N2O3/c1-12-6-8-13(9-7-12)18-16(20)10-19-14-4-2-3-5-15(14)22-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,3,7,4,6,11,20,2,5,13,18,9,21,8,12,10,22,19/E:(6,7)(8,9)/rA:22nCCCCCCCNCOCNCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.16541 |
Area: | 482.583 |
Solvation: | -3.89917 |
Coulombic: | -45.8163 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.97 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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