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Chemical ID: 6042029

Chemical ID:

6042029

Name [?]:

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

SMILES [?]:

CCC(C)NC(=O)CN1c2cc(ccc2OCC1=O)C

InChi [?]:

InChI=1/C15H20N2O3/c1-4-11(3)16-14(18)8-17-12-7-10(2)5-6-13(12)20-9-15(17)19/h5-7,11H,4,8-9H2,1-3H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,20,4,2,13,14,11,8,17,12,3,10,15,6,18,5,9,7,19,16/rA:20cCCCCNCOCNCCCCCCOCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;s12;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀N₂O₃
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.25912
Area:	470.511
Solvation:	-3.50365
Coulombic:	-45.8743

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	276.331
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.65
LogP (Chemaxon):	1.21

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