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Chemical ID: 6722118
Chemical ID:
6722118
Name [?]:
2-(8-ethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-(p-tolylmethyl)acetamide
SMILES [?]:
CCC1C(=O)N(c2ccccc2O1)CC(=O)NCc3ccc(cc3)C
InChi [?]:
InChI=1/C20H22N2O3/c1-3-17-20(24)22(16-6-4-5-7-18(16)25-17)13-19(23)21-12-15-10-8-14(2)9-11-15/h4-11,17H,3,12-13H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,9,10,8,11,21,23,20,24,18,14,22,19,7,3,12,15,4,17,6,16,5,13/E:(8,9)(10,11)/rA:25cCCCCONCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s3s12;s6;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O3 |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.444 |
Area: | 561.428 |
Solvation: | -3.59173 |
Coulombic: | -48.3758 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.0 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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