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Chemical ID: 4208093

c1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCN4CCOCC4)O)Cl

Chemical ID:

4208093

Name [?]:

4-(4-chlorobenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(4-pyridyl)-5H-pyrrol-2-one

SMILES [?]:

c1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCN4CCOCC4)O)Cl

InChi [?]:

InChI=1/C23H24ClN3O4/c24-18-4-2-17(3-5-18)21(28)19-20(16-6-8-25-9-7-16)27(23(30)22(19)29)11-1-10-26-12-14-31-15-13-26/h2-9,20,29H,1,10-15H2

InChi Info:

AuxInfo=1/0/N:22,1,5,2,4,16,20,17,19,23,21,25,29,26,28,15,6,3,9,14,7,10,11,31,18,24,13,8,30,12,27/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15)/rA:31cCCCCCCCOCCCONCCCCNCCCCCNCCOCCOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;d9;s10;d11;s11;s9s13;s14;s15;d16;s17;d18;d15s19;s13;s21;s22;s23;s24;s25;s26;s27;s24s28;s10;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄ClN₃O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	10.525
Area:	677.633
Solvation:	-6.41585
Coulombic:	-59.8592

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	441.907
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.38
LogP (Chemaxon):	-0.97

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