Chemical ID: 6811299

CCC1C(=O)N(c2cc(ccc2O1)Cl)CC(=O)NCCc3ccc(cc3)Cl
Chemical ID:
6811299
Name [?]:
2-(3-chloro-8-ethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILES [?]:
CCC1C(=O)N(c2cc(ccc2O1)Cl)CC(=O)NCCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H20Cl2N2O3/c1-2-17-20(26)24(16-11-15(22)7-8-18(16)27-17)12-19(25)23-10-9-13-3-5-14(21)6-4-13/h3-8,11,17H,2,9-10,12H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,22,26,23,25,10,11,20,19,8,15,21,24,9,7,3,12,16,4,27,14,18,6,17,5,13/E:(3,4)(5,6)/rA:27cCCCCONCCCCCCOClCCONCCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s3s12;s9;s6;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20Cl2N2O3
All Atoms:47
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.6259
Area:636.704
Solvation:-4.29171
Coulombic:-47.7997
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.29
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.96
LogP (Chemaxon):3.59

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