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Chemical ID: 4207124

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])Cc4cccnc4)O

Chemical ID:

4207124

Name [?]:

3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one

SMILES [?]:

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])Cc4cccnc4)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/h2-13,21,29H,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,28,27,3,7,4,6,17,21,18,20,29,31,25,2,26,16,5,19,10,15,8,11,12,30,14,22,9,32,13,23,24/E:(4,5)(6,7)(8,9)(10,11)(31,32)/CRV:27.5/rA:32cCCCCCCCCOCCCONCCCCCCCN+OO-CCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s14;s25;s26;d27;s28;d29;d26s30;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉N₃O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	6.09493
Area:	650.905
Solvation:	-10.1777
Coulombic:	-59.7255

Bond Count [?]

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

Chemical Properties

Molecular Weight:	429.425
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.86
LogP (Chemaxon):	2.49

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