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Chemical ID: 5185501
Chemical ID:
5185501
Name [?]:
2-(3-chloro-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-(4-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CN2c3cc(ccc3OCC2=O)Cl
InChi [?]:
InChI=1/C18H17ClN2O4/c1-2-24-14-6-4-13(5-7-14)20-17(22)10-21-15-9-12(19)3-8-16(15)25-11-18(21)23/h3-9H,2,10-11H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,6,8,5,9,19,16,13,22,17,7,4,15,20,11,23,25,10,14,12,24,3,21/E:(4,5)(6,7)/rA:25nCCOCCCCCCNCOCNCCCCCCOCCOCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s14s22;d23;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17ClN2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94023 |
Area: | 560.292 |
Solvation: | -5.06708 |
Coulombic: | -52.2223 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 360.791 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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