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Chemical ID: 5973551

Chemical ID:

5973551

Name [?]:

5-[(4-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-N-propyl-furan-2-carboxamide

SMILES [?]:

CCCNC(=O)c1ccc(o1)CN2c3ccc(cc3OCC2=O)C

InChi [?]:

InChI=1/C18H20N2O4/c1-3-8-19-18(22)15-7-5-13(24-15)10-20-14-6-4-12(2)9-16(14)23-11-17(20)21/h4-7,9H,3,8,10-11H2,1-2H3,(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,24,2,16,9,15,8,3,18,12,21,17,10,14,7,19,22,5,4,13,23,6,20,11/rA:24nCCCNCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N₂O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.37246
Area:	540.009
Solvation:	-4.12776
Coulombic:	-55.4616

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	328.362
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.84
LogP (Chemaxon):	1.26

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