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Chemical ID: 6883772

CCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccccc3Cl

Chemical ID:

6883772

Name [?]:

ethyl 4-[2-[4-[(2-chlorophenyl)carbamoyl]phenoxy]acetyl]aminobenzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccccc3Cl

InChi [?]:

InChI=1/C24H21ClN2O5/c1-2-31-24(30)17-7-11-18(12-8-17)26-22(28)15-32-19-13-9-16(10-14-19)23(29)27-21-6-4-3-5-20(21)25/h3-14H,2,15H2,1H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,29,28,30,27,7,11,19,21,8,10,18,22,15,20,6,9,17,31,26,13,23,4,32,12,25,14,24,5,3,16/E:(7,8)(9,10)(11,12)(13,14)/rA:32nCCOCOCCCCCCNCOCOCCCCCCCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁ClN₂O₅
All Atoms:	53
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2128
Area:	716.768
Solvation:	-5.70643
Coulombic:	-70.6881

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	452.887
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.63
LogP (Chemaxon):	3.69

Name Annotations

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

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