Chemical ID: 5185501

CCOc1ccc(cc1)NC(=O)CN2c3cc(ccc3OCC2=O)Cl
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

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Descriptor Annotations

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