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Chemical ID: 4882464

c1ccc(cc1)N2C(C3C(O2)C(=O)N(C3=O)c4cccc5c4cccc5)c6cccnc6

Chemical ID:

4882464

Name [?]:

3-(1-naphthyl)-7-phenyl-8-(3-pyridyl)-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione

SMILES [?]:

c1ccc(cc1)N2C(C3C(O2)C(=O)N(C3=O)c4cccc5c4cccc5)c6cccnc6

InChi [?]:

InChI=1/C26H19N3O3/c30-25-22-23(18-10-7-15-27-16-18)29(19-11-2-1-3-12-19)32-24(22)26(31)28(25)21-14-6-9-17-8-4-5-13-20(17)21/h1-16,22-24H

InChi Info:

AuxInfo=1/0/N:1,2,6,25,24,19,29,26,20,28,3,5,23,18,30,32,21,27,4,22,17,9,8,10,15,12,31,14,7,16,13,11/E:(2,3)(11,12)/rA:32cCCCCCCNCCCOCONCOCCCCCCCCCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7s10;s10;d12;s12;s9s14;d15;s14;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s8;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₁₉N₃O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	4

ZAP Information [?]

Total:	8.70584
Area:	585.919
Solvation:	-5.94213
Coulombic:	-36.6647

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	421.447
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.3
LogP (Chemaxon):	3.91

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value