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Chemical ID: 6629104

Cc1cccc(c1)C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(C)Oc4cccc5c4cccc5

Chemical ID:

6629104

Name [?]:

[1-[2-(1-naphthyloxy)propanoylaminoiminomethyl]-2-naphthyl] 3-methylbenzoate

SMILES [?]:

Cc1cccc(c1)C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(C)Oc4cccc5c4cccc5

InChi [?]:

InChI=1/C32H26N2O4/c1-21-9-7-13-25(19-21)32(36)38-30-18-17-24-11-3-5-14-26(24)28(30)20-33-34-31(35)22(2)37-29-16-8-12-23-10-4-6-15-27(23)29/h3-20,22H,1-2H3,(H,34,35)

InChi Info:

AuxInfo=1/1/N:1,27,16,37,17,36,4,31,3,38,15,32,5,18,35,30,13,12,7,21,2,26,33,14,6,19,34,20,29,11,24,8,22,23,25,9,28,10/rA:38cCCCCCCCCOOCCCCCCCCCCCNNCOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s20;w21;s22;s23;d24;s24;s26;s26;s28;s29;d30;s31;d32;d29s33;s34;d35;s36;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₂₆N₂O₄
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	12.7596
Area:	725.577
Solvation:	-5.37986
Coulombic:	-50.5306

Bond Count [?]

All:	42
Single:	26
Double:	16
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	502.56
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	8.67
LogP (Chemaxon):	7.25

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