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Chemical ID: 5932991

CC1=C(C(NC(=O)N1C)c2ccc(cc2)NC(=O)CC(C)CC(C)(C)C)C(=O)OCCOC

Chemical ID:

5932991

Name [?]:

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

SMILES [?]:

CC1=C(C(NC(=O)N1C)c2ccc(cc2)NC(=O)CC(C)CC(C)(C)C)C(=O)OCCOC

InChi [?]:

InChI=1/C25H37N3O5/c1-16(15-25(3,4)5)14-20(29)26-19-10-8-18(9-11-19)22-21(23(30)33-13-12-32-7)17(2)28(6)24(31)27-22/h8-11,16,22H,12-15H2,1-7H3,(H,26,29)(H,27,31)

InChi Info:

AuxInfo=1/1/N:21,1,24,25,26,9,33,11,15,12,14,31,30,19,22,20,2,10,13,17,3,4,27,6,23,16,5,8,18,28,7,32,29/E:(3,4,5)(8,9)(10,11)/rA:33cCCCCNCONCCCCCCCNCOCCCCCCCCCOOCCOC/rB:s1;d2;s3;s4;s5;d6;s2s6;s8;s4;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;s20;s20;s22;s23;s23;s23;s3;d27;s27;s29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₇N₃O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	2

ZAP Information [?]

Total:	12.3745
Area:	704.961
Solvation:	-5.24949
Coulombic:	-77.8188

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	459.578
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.7
LogP (Chemaxon):	2.54

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