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Chemical ID: 4615314

COC(=O)CN1c2ccccc2C(=NNC(=O)CNC(=O)c3cccc(c3)Cl)C1=O

Chemical ID:

4615314

Name [?]:

methyl 2-[3-[2-(3-chlorobenzoyl)aminoacetyl]aminoimino-2-oxo-indolin-1-yl]acetate

SMILES [?]:

COC(=O)CN1c2ccccc2C(=NNC(=O)CNC(=O)c3cccc(c3)Cl)C1=O

InChi [?]:

InChI=1/C20H17ClN4O5/c1-30-17(27)11-25-15-8-3-2-7-14(15)18(20(25)29)24-23-16(26)10-22-19(28)12-5-4-6-13(21)9-12/h2-9H,10-11H2,1H3,(H,22,28)(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,10,9,24,23,25,11,8,27,18,5,22,26,12,7,16,3,13,20,29,28,19,15,14,6,17,4,21,30,2/rA:30nCOCOCNCCCCCCCNNCOCNCOCCCCCCClCO/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;w13;s14;s15;d16;s16;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s6s13;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇ClN₄O₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5532
Area:	672.268
Solvation:	-6.25346
Coulombic:	-76.7294

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	428.826
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	2.5
LogP (Chemaxon):	1.42

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value