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Chemical ID: 5690751

CCOc1ccc(cc1)C2C(=C(c3ccc(cc3)C)O)C(=O)C(=O)N2CCCOC

Chemical ID:

5690751

Name [?]:

5-(4-ethoxyphenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione

SMILES [?]:

CCOc1ccc(cc1)C2C(=C(c3ccc(cc3)C)O)C(=O)C(=O)N2CCCOC

InChi [?]:

InChI=1/C24H27NO5/c1-4-30-19-12-10-17(11-13-19)21-20(22(26)18-8-6-16(2)7-9-18)23(27)24(28)25(21)14-5-15-29-3/h6-13,21,26H,4-5,14-15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,30,2,27,15,17,14,18,6,8,5,9,26,28,16,7,13,4,11,10,12,21,23,25,20,22,24,29,3/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCCOCCCCCCCCCCCCCCCCOCOCONCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s12;s11;d21;s21;d23;s10s23;s25;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇NO₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	9.69526
Area:	639.789
Solvation:	-6.29946
Coulombic:	-59.6161

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	409.475
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.5
LogP (Chemaxon):	2.22

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