Chemical ID: 4903255

Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3C)C(=O)N4CC(CC(C4)C)C
Chemical ID:
4903255
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3C)C(=O)N4CC(CC(C4)C)C
InChi [?]:
InChI=1/C21H25N5O2/c1-12-8-13(2)11-25(10-12)20(27)15-9-16-19(24(4)17(15)22)23-18-14(3)6-5-7-26(18)21(16)28/h5-7,9,12-13,22H,8,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:27,28,1,18,4,3,5,24,13,26,22,25,23,2,14,10,15,7,9,19,11,16,8,17,21,6,20,12/E:(1,2)(10,11)(12,13)/rA:28cCCCCCNCNCCCOCCCNNCCONCCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s14;d19;s19;s21;s22;s23;s24;s21s25;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N5O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:11.0752
Area:571.862
Solvation:-3.22136
Coulombic:-57.2452
Bond Count [?]
All:31
Single:23
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:379.456
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.63
LogP (Chemaxon):3.36

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Descriptor Annotations

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