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Chemical ID: 4238036

CCOC(=O)c1ccccc1NC(=O)c2ccccc2NC(=O)c3ccc(cc3)OC

Chemical ID:

4238036

Name [?]:

ethyl 2-[2-(4-methoxybenzoyl)aminobenzoyl]aminobenzoate

SMILES [?]:

CCOC(=O)c1ccccc1NC(=O)c2ccccc2NC(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C24H22N2O5/c1-3-31-24(29)19-9-5-7-11-21(19)26-23(28)18-8-4-6-10-20(18)25-22(27)16-12-14-17(30-2)15-13-16/h4-15H,3H2,1-2H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,31,2,17,8,18,9,16,7,19,10,25,29,26,28,24,27,15,6,20,11,22,13,4,21,12,23,14,5,30,3/E:(12,13)(14,15)/rA:31nCCOCOCCCCCCNCOCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂N₂O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1
Area:	652.51
Solvation:	-4.21276
Coulombic:	-72.0637

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	418.442
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.1
LogP (Chemaxon):	4.45

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value