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Chemical ID: 7190435

CCOc1ccc(cc1)C2C(C(=O)C(=O)N2CCCOC)C(=O)c3ccc(cc3C)OC

Chemical ID:

7190435

Name [?]:

5-(4-ethoxyphenyl)-4-(4-methoxy-2-methyl-benzoyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione

SMILES [?]:

CCOc1ccc(cc1)C2C(C(=O)C(=O)N2CCCOC)C(=O)c3ccc(cc3C)OC

InChi [?]:

InChI=1/C25H29NO6/c1-5-32-18-9-7-17(8-10-18)22-21(24(28)25(29)26(22)13-6-14-30-3)23(27)20-12-11-19(31-4)15-16(20)2/h7-12,15,21-22H,5-6,13-14H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,30,21,32,2,18,6,8,5,9,26,25,17,19,28,29,7,4,27,24,11,10,22,12,14,16,23,13,15,20,31,3/E:(7,8)(9,10)/rA:32cCCOCCCCCCCCCOCONCCCOCCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;d14;s10s14;s16;s17;s18;s19;s20;s11;d22;s22;s24;d25;s26;d27;d24s28;s29;s27;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉NO₆
All Atoms:	61
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	6.93778
Area:	648.017
Solvation:	-9.26266
Coulombic:	-54.3956

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	439.501
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.86
LogP (Chemaxon):	3.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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