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Chemical ID: 6612959

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccccc3F)CCCN(C)C)O)OCC=C

Chemical ID:

6612959

Name [?]:

4-(4-allyloxy-2-methyl-benzoyl)-1-(3-dimethylaminopropyl)-5-(2-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one

SMILES [?]:

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccccc3F)CCCN(C)C)O)OCC=C

InChi [?]:

InChI=1/C26H29FN2O4/c1-5-15-33-18-11-12-19(17(2)16-18)24(30)22-23(20-9-6-7-10-21(20)27)29(26(32)25(22)31)14-8-13-28(3)4/h5-7,9-12,16,23,31H,1,8,13-15H2,2-4H3

InChi Info:

AuxInfo=1/0/N:33,1,27,28,32,18,19,24,17,20,5,6,25,23,31,3,2,4,7,16,21,10,15,8,11,12,22,26,14,9,29,13,30/E:(3,4)/rA:33cCCCCCCCCOCCCONCCCCCCCFCCCNCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s21;s14;s23;s24;s25;s26;s26;s11;s4;s30;s31;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₉FN₂O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	11.4128
Area:	694.039
Solvation:	-5.93821
Coulombic:	-61.0931

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	452.518
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.54
LogP (Chemaxon):	0.46

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

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Chemical Mix	Source	External ID	Descriptor	Value