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Chemical ID: 6214572

Chemical ID:

6214572

Name [?]:

ethyl 4-(2-acetoxybenzoyl)aminobenzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OC(=O)C

InChi [?]:

InChI=1/C18H17NO5/c1-3-23-18(22)13-8-10-14(11-9-13)19-17(21)15-6-4-5-7-16(15)24-12(2)20/h4-11H,3H2,1-2H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,24,2,17,18,16,19,7,11,8,10,22,6,9,15,20,13,4,12,23,14,5,3,21/E:(8,9)(10,11)/rA:24nCCOCOCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇NO₅
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.019
Area:	547.578
Solvation:	-3.67049
Coulombic:	-59.1141

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	327.331
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.14
LogP (Chemaxon):	2.49

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