Chemical ID: 4127826

COC(=O)CN1c2ccccc2C(=NNC(=O)c3ccc(cc3)Cl)C1=O
Chemical ID:
4127826
Name [?]:
methyl 2-[3-(4-chlorobenzoyl)aminoimino-2-oxo-indolin-1-yl]acetate
SMILES [?]:
COC(=O)CN1c2ccccc2C(=NNC(=O)c3ccc(cc3)Cl)C1=O
InChi [?]:
InChI=1/C18H14ClN3O4/c1-26-15(23)10-22-14-5-3-2-4-13(14)16(18(22)25)20-21-17(24)11-6-8-12(19)9-7-11/h2-9H,10H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,8,19,23,20,22,5,18,21,12,7,3,13,16,25,24,14,15,6,4,17,26,2/E:(6,7)(8,9)/rA:26nCOCOCNCCCCCCCNNCOCCCCCCClCO/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;w13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s6s13;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClN3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.23474
Area:581.303
Solvation:-5.29783
Coulombic:-56.248
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:371.774
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.33
LogP (Chemaxon):2.5

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