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Chemical ID: 5609882

Chemical ID:

5609882

Name [?]:

N-(benzo[1,3]dioxol-5-ylmethyl)-2-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-yl)acetamide

SMILES [?]:

c1cc2c(cc1CC(=O)NCc3ccc4c(c3)OCO4)OCCO2

InChi [?]:

InChI=1/C18H17NO5/c20-18(9-12-1-3-14-16(7-12)22-6-5-21-14)19-10-13-2-4-15-17(8-13)24-11-23-15/h1-4,7-8H,5-6,9-11H2,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,13,2,14,23,22,5,17,7,11,19,6,12,3,15,4,16,8,10,9,24,21,20,18/rA:24nCCCCCCCCONCCCCCCCOCOOCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s4;s21;s22;s3s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	7.6435
Area:	531.012
Solvation:	-5.6318
Coulombic:	-53.0145

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	327.331
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.33
LogP (Chemaxon):	1.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value