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Chemical ID: 7493464

Cc1cccc(c1)C(=O)Nc2ccc(cc2)C(=O)NNC(=O)CCC(=O)OCCc3ccccc3

Chemical ID:

7493464

Name [?]:

phenethyl 4-[N'-[4-(3-methylbenzoyl)aminobenzoyl]hydrazino]-4-oxo-butanoate

SMILES [?]:

Cc1cccc(c1)C(=O)Nc2ccc(cc2)C(=O)NNC(=O)CCC(=O)OCCc3ccccc3

InChi [?]:

InChI=1/C27H27N3O5/c1-19-6-5-9-22(18-19)26(33)28-23-12-10-21(11-13-23)27(34)30-29-24(31)14-15-25(32)35-17-16-20-7-3-2-4-8-20/h2-13,18H,14-17H2,1H3,(H,28,33)(H,29,31)(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,33,32,34,4,3,31,35,5,13,15,12,16,23,24,29,28,7,2,30,14,6,11,21,25,8,17,10,20,19,22,26,9,18,27/E:(3,4)(7,8)(10,11)(12,13)/rA:35nCCCCCCCCONCCCCCCCONNCOCCCOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;d21;s21;s23;s24;d25;s25;s27;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₇N₃O₅
All Atoms:	62
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	14.5482
Area:	786.503
Solvation:	-5.11442
Coulombic:	-77.0472

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	473.521
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	4.27
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