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Chemical ID: 6632660

CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccccc3O

Chemical ID:

6632660

Name [?]:

[4-[(2-hydroxybenzoyl)aminoiminomethyl]phenyl] 4-butoxybenzoate

SMILES [?]:

CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccccc3O

InChi [?]:

InChI=1/C25H24N2O5/c1-2-3-16-31-20-14-10-19(11-15-20)25(30)32-21-12-8-18(9-13-21)17-26-27-24(29)22-6-4-5-7-23(22)28/h4-15,17,28H,2-3,16H2,1H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,3,28,29,27,30,17,19,8,10,16,20,7,11,4,21,18,9,6,15,26,31,24,12,22,23,32,25,13,5,14/E:(8,9)(10,11)(12,13)(14,15)/rA:32nCCCCOCCCCCCCOOCCCCCCCNNCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;w21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1639
Area:	700.64
Solvation:	-6.35211
Coulombic:	-63.5258

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	432.469
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	6.78
LogP (Chemaxon):	5.79

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