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Chemical ID: 5932992

CCCCC(CC)C(=O)Nc1ccc(cc1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCCOC

Chemical ID:

5932992

Name [?]:

2-methoxyethyl 4-[4-(2-ethylhexanoylamino)phenyl]-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate

SMILES [?]:

CCCCC(CC)C(=O)Nc1ccc(cc1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCCOC

InChi [?]:

InChI=1/C24H35N3O5/c1-6-8-9-17(7-2)22(28)25-19-12-10-18(11-13-19)21-20(23(29)32-15-14-31-5)16(3)27(4)24(30)26-21/h10-13,17,21H,6-9,14-15H2,1-5H3,(H,25,28)(H,26,30)

InChi Info:

AuxInfo=1/1/N:1,7,25,24,32,2,6,3,4,13,15,12,16,30,29,19,5,14,11,18,17,8,26,21,10,23,20,9,27,22,31,28/E:(10,11)(12,13)/rA:32cCCCCCCCCONCCCCCCCCCNCONCCCOOCCOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;s20;d21;s17s21;s20;s19;s18;d26;s26;s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₅N₃O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	12.3323
Area:	701.317
Solvation:	-5.20068
Coulombic:	-78.1336

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	445.552
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.94
LogP (Chemaxon):	2.41

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