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Chemical ID: 6042751

Chemical ID:

6042751

Name [?]:

N-butyl-5-[(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide

SMILES [?]:

CCCCNC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C

InChi [?]:

InChI=1/C19H22N2O4/c1-3-4-9-20-19(23)17-8-6-14(25-17)11-21-15-10-13(2)5-7-16(15)24-12-18(21)22/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,25,2,3,18,10,19,9,4,16,13,22,17,11,15,20,8,23,6,5,14,24,7,21,12/rA:25nCCCCNCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s14s22;d23;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂N₂O₄
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1078
Area:	568.79
Solvation:	-4.11191
Coulombic:	-55.7719

Bond Count [?]

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

Chemical Properties

Molecular Weight:	342.389
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.41
LogP (Chemaxon):	1.66

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