Chemical ID: 7316910

COCCCN(c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N)C(=O)c3ccccc3
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

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Descriptor Annotations

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