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Chemical ID: 6148527

Cc1cccc(c1)N2C(=O)C3C(N(OC3C2=O)c4ccccc4C)c5ccc(cc5)OC

Chemical ID:

6148527

Name [?]:

2-(4-methoxyphenyl)-7-(m-tolyl)-3-(o-tolyl)-4-oxa-3,7-diazabicyclo[3.3.0]octane-6,8-dione

SMILES [?]:

Cc1cccc(c1)N2C(=O)C3C(N(OC3C2=O)c4ccccc4C)c5ccc(cc5)OC

InChi [?]:

InChI=1/C26H24N2O4/c1-16-7-6-9-19(15-16)27-25(29)22-23(18-11-13-20(31-3)14-12-18)28(32-24(22)26(27)30)21-10-5-4-8-17(21)2/h4-15,22-24H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,24,32,21,20,4,3,22,5,19,26,30,27,29,7,2,23,25,6,28,18,11,12,15,9,16,8,13,10,17,31,14/E:(11,12)(13,14)/rA:32cCCCCCCCNCOCCNOCCOCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s11s14;s8s15;d16;s13;s18;d19;s20;d21;d18s22;s23;s12;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	4

ZAP Information [?]

Total:	8.7
Area:	607.62
Solvation:	-6.4905
Coulombic:	-38.6922

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	428.48
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.86
LogP (Chemaxon):	4.91

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