ChemDB: Chemical Search
Download
Chemical ID: 7316910
Chemical ID:
7316910
Name [?]:
N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(3-methoxypropyl)benzamide
SMILES [?]:
COCCCN(c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N)C(=O)c3ccccc3
InChi [?]:
InChI=1/C22H24N4O4/c1-30-14-8-13-25(21(28)17-11-6-3-7-12-17)18-19(23)26(22(29)24-20(18)27)15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15,23H2,1H3,(H,24,27,29)
InChi Info:
AuxInfo=1/1/N:1,19,28,18,20,27,29,4,17,21,26,30,5,3,15,16,25,7,8,13,23,10,22,12,6,9,14,24,11,2/E:(4,5)(6,7)(9,10)(11,12)/rA:30nCOCCCNCCNCONCOCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;d10;s10;s7s12;d13;s9;s15;s16;d17;s18;d19;d16s20;s8;s6;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N4O4 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4844 |
Area: | 606.289 |
Solvation: | -4.67281 |
Coulombic: | -82.6689 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.451 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.64 |
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 |
---|