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Chemical ID: 4573058

CC1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N(C3c4ccc(cc4)C(C)C)CCOC)O

Chemical ID:

4573058

Name [?]:

3-hydroxy-5-(4-isopropylphenyl)-1-(2-methoxyethyl)-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)carbonyl]-5H-pyrrol-2-one

SMILES [?]:

CC1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N(C3c4ccc(cc4)C(C)C)CCOC)O

InChi [?]:

InChI=1/C26H29NO5/c1-15(2)17-5-7-18(8-6-17)23-22(25(29)26(30)27(23)11-12-31-4)24(28)19-9-10-21-20(14-19)13-16(3)32-21/h5-10,14-16,23,29H,11-13H2,1-4H3

InChi Info:

AuxInfo=1/0/N:26,27,1,31,21,23,20,24,7,8,28,29,3,5,25,2,22,19,6,4,9,13,18,11,14,15,17,12,32,16,30,10/E:(1,2)(5,6)(7,8)/rA:32cCCCCCCCCCOCOCCCONCCCCCCCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s25;s17;s28;s29;s30;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₉NO₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	11.26
Area:	674.937
Solvation:	-5.61346
Coulombic:	-59.5863

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	435.512
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.63
LogP (Chemaxon):	3.4

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