Chemical ID: 4899654

Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3CCO)C(=O)N4CC(CC(C4)C)C
Chemical ID:
4899654
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3CCO)C(=O)N4CC(CC(C4)C)C
InChi [?]:
InChI=1/C22H27N5O3/c1-13-9-14(2)12-25(11-13)21(29)16-10-17-20(26(7-8-28)18(16)23)24-19-15(3)5-4-6-27(19)22(17)30/h4-6,10,13-14,23,28H,7-9,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:29,30,1,4,3,5,18,19,26,13,28,24,27,25,2,14,10,15,7,9,21,11,16,8,23,17,6,20,22,12/E:(1,2)(11,12)(13,14)/rA:30cCCCCCNCNCCCOCCCNNCCOCONCCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s18;s19;s14;d21;s21;s23;s24;s25;s26;s23s27;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N5O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:11.625
Area:610.929
Solvation:-3.64819
Coulombic:-74.6731
Bond Count [?]
All:33
Single:25
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:409.482
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.92
LogP (Chemaxon):2.91

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Descriptor Annotations

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