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Chemical ID: 6754728

Cc1ccc(cc1)C(=O)C2C(N(C(=O)C2=O)Cc3cccnc3)c4ccc(cc4)[N+](=O)[O-]

Chemical ID:

6754728

Name [?]:

4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione

SMILES [?]:

Cc1ccc(cc1)C(=O)C2C(N(C(=O)C2=O)Cc3cccnc3)c4ccc(cc4)[N+](=O)[O-]

InChi [?]:

InChI=1/C24H19N3O5/c1-15-4-6-18(7-5-15)22(28)20-21(17-8-10-19(11-9-17)27(31)32)26(24(30)23(20)29)14-16-3-2-12-25-13-16/h2-13,20-21H,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,20,19,3,7,4,6,25,29,26,28,21,23,17,2,18,24,5,27,10,11,8,15,13,22,12,30,9,16,14,31,32/E:(4,5)(6,7)(8,9)(10,11)(31,32)/CRV:27.5/rA:32cCCCCCCCCOCCNCOCOCCCCCNCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s10s13;d15;s12;s17;s18;d19;s20;d21;d18s22;s11;s24;d25;s26;d27;d24s28;s27;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉N₃O₅
All Atoms:	51
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	5.4915
Area:	648.967
Solvation:	-10.7327
Coulombic:	-50.2931

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	429.425
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.67
LogP (Chemaxon):	3.87

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