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Chemical ID: 4104567

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCN(C)C)O

Chemical ID:

4104567

Name [?]:

1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-methylbenzoyl)-5-(4-pyridyl)-5H-pyrrol-2-one

SMILES [?]:

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCN(C)C)O

InChi [?]:

InChI=1/C22H25N3O3/c1-15-5-7-17(8-6-15)20(26)18-19(16-9-11-23-12-10-16)25(22(28)21(18)27)14-4-13-24(2)3/h5-12,19,27H,4,13-14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,26,27,23,3,7,4,6,17,21,18,20,24,22,2,16,5,10,15,8,11,12,19,25,14,9,28,13/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:28cCCCCCCCCOCCCONCCCCNCCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s14;s22;s23;s24;s25;s25;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅N₃O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7475
Area:	621.357
Solvation:	-4.78645
Coulombic:	-52.148

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	379.452
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.59
LogP (Chemaxon):	-1.44

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