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Chemical ID: 5573514

CC(=O)Nc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)C(=O)c3ccccc3

Chemical ID:

5573514

Name [?]:

(4-acetamidophenyl)carbamoylmethyl 4-benzoylbenzoate

SMILES [?]:

CC(=O)Nc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)C(=O)c3ccccc3

InChi [?]:

InChI=1/C24H20N2O5/c1-16(27)25-20-11-13-21(14-12-20)26-22(28)15-31-24(30)19-9-7-18(8-10-19)23(29)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,29,28,30,27,31,20,22,19,23,6,10,7,9,14,2,26,21,18,5,8,12,24,16,4,11,3,13,25,17,15/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:31nCCONCCCCCCNCOCOCOCCCCCCCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₂O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1856
Area:	671.843
Solvation:	-5.6105
Coulombic:	-69.5643

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	416.426
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.08
LogP (Chemaxon):	3.22

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