Chemical ID: 4708835

Cc1c(cnc(n1)N2CCCCCC2)C(=O)N3CCCCCC3
Chemical ID:
4708835
Name [?]:
azepan-1-yl-(2-azepan-1-yl-4-methyl-pyrimidin-5-yl)-methanone
SMILES [?]:
Cc1c(cnc(n1)N2CCCCCC2)C(=O)N3CCCCCC3
InChi [?]:
InChI=1/C18H28N4O/c1-15-16(17(23)21-10-6-2-3-7-11-21)14-19-18(20-15)22-12-8-4-5-9-13-22/h14H,2-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,11,12,19,22,10,13,18,23,9,14,4,2,3,15,6,5,7,17,8,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:23nCCCCNCNNCCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s8s13;s3;d15;s15;s17;s18;s19;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N4O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.439
Area:502.639
Solvation:-2.12701
Coulombic:-35.7777
Bond Count [?]
All:25
Single:21
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.441
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.97
LogP (Chemaxon):2.41

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Descriptor Annotations

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