Chemical ID: 6915738

CCOCn1c(c(c(=O)[nH]c1=O)C(C)C)Cc2ccccc2
Chemical ID:
6915738
Name [?]:
6-benzyl-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-dione
SMILES [?]:
CCOCn1c(c(c(=O)[nH]c1=O)C(C)C)Cc2ccccc2
InChi [?]:
InChI=1/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,20,19,21,18,22,16,4,13,17,6,7,8,11,10,5,9,12,3/E:(2,3)(6,7)(8,9)/rA:22nCCOCNCCCONCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s5s10;d11;s7;s13;s13;s6;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.0735
Area:481.132
Solvation:-3.9548
Coulombic:-47.1877
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.368
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.51
LogP (Chemaxon):3.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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