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Chemical ID: 7470234

c1ccc(cc1)CCCOC(=O)CCCC(=O)NNC(=O)c2ccc(cc2)NC(=O)C3CCCCC3

Chemical ID:

7470234

Name [?]:

3-phenylpropyl 5-[N'-(4-cyclohexylcarbonylaminobenzoyl)hydrazino]-5-oxo-pentanoate

SMILES [?]:

c1ccc(cc1)CCCOC(=O)CCCC(=O)NNC(=O)c2ccc(cc2)NC(=O)C3CCCCC3

InChi [?]:

InChI=1/C28H35N3O5/c32-25(14-7-15-26(33)36-20-8-11-21-9-3-1-4-10-21)30-31-28(35)23-16-18-24(19-17-23)29-27(34)22-12-5-2-6-13-22/h1,3-4,9-10,16-19,22H,2,5-8,11-15,20H2,(H,29,34)(H,30,32)(H,31,35)

InChi Info:

AuxInfo=1/1/N:1,34,2,6,33,35,14,8,3,5,7,32,36,15,13,23,27,24,26,9,4,31,22,25,16,11,29,20,28,18,19,17,12,30,21,10/E:(3,4)(5,6)(9,10)(12,13)(16,17)(18,19)/rA:36nCCCCCCCCCOCOCCCCONNCOCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s16;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;d29;s29;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₅N₃O₅
All Atoms:	71
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	14.9444
Area:	826.85
Solvation:	-5.7269
Coulombic:	-75.3976

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	16
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	493.595
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	4.75
LogP (Chemaxon):	4.16

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