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Chemical ID: 6621557

Cc1ccc(cc1)C(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)Cl

Chemical ID:

6621557

Name [?]:

[2-methoxy-4-[(4-methylbenzoyl)aminoiminomethyl]phenyl] 4-chlorobenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C23H19ClN2O4/c1-15-3-6-17(7-4-15)22(27)26-25-14-16-5-12-20(21(13-16)29-2)30-23(28)18-8-10-19(24)11-9-18/h3-14H,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,20,3,7,14,4,6,25,29,26,28,15,18,12,2,13,5,24,27,16,17,8,22,30,11,10,9,23,19,21/E:(3,4)(6,7)(8,9)(10,11)/rA:30nCCCCCCCCONNCCCCCCCOCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉ClN₂O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4254
Area:	658.834
Solvation:	-5.04546
Coulombic:	-48.8904

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	422.861
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.2
LogP (Chemaxon):	5.21

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