Chemical ID: 5285674

Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3CC(C)C)C(=O)NC(C)(C)C
Chemical ID:
5285674
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3CC(C)C)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C21H27N5O2/c1-12(2)11-26-16(22)14(19(27)24-21(4,5)6)10-15-18(26)23-17-13(3)8-7-9-25(17)20(15)28/h7-10,12,22H,11H2,1-6H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:20,21,1,26,27,28,4,3,5,13,18,19,2,14,10,15,7,9,22,11,25,16,8,24,6,17,23,12/E:(1,2)(4,5,6)/rA:28nCCCCCNCNCCCOCCCNNCCCCCONCCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s18;s19;s19;s14;d22;s22;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N5O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.979
Area:573.158
Solvation:-2.34997
Coulombic:-62.7278
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:381.472
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.4
LogP (Chemaxon):3.63

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