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Chemical ID: 6631178

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3)c4ccccc4

Chemical ID:

6631178

Name [?]:

[4-[2-(4-phenylphenoxy)propanoylaminoiminomethyl]phenyl] 4-propoxybenzoate

SMILES [?]:

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C32H30N2O5/c1-3-21-37-28-17-13-27(14-18-28)32(36)39-30-15-9-24(10-16-30)22-33-34-31(35)23(2)38-29-19-11-26(12-20-29)25-7-5-4-6-8-25/h4-20,22-23H,3,21H2,1-2H3,(H,34,35)

InChi Info:

AuxInfo=1/1/N:1,26,2,37,36,38,35,39,16,18,30,32,7,9,15,19,6,10,29,33,3,20,25,17,34,31,8,5,28,14,23,11,21,22,24,12,4,27,13/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:39cCCCOCCCCCCCOOCCCCCCCNNCOCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;s25;s27;s28;d29;s30;d31;d28s32;s31;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₀N₂O₅
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	1

ZAP Information [?]

Total:	13.4579
Area:	830.529
Solvation:	-7.30536
Coulombic:	-56.678

Bond Count [?]

All:	42
Single:	27
Double:	15
Rotors:	13
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	522.591
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	8.34
LogP (Chemaxon):	7.03

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value