Chemical ID: 7212004

Cc1c(cn(n1)CC(=O)Nn2c(nc3c(c2=O)c4c(s3)CCCC4)C)Br
Chemical ID:
7212004
Name [?]:
None
SMILES [?]:
Cc1c(cn(n1)CC(=O)Nn2c(nc3c(c2=O)c4c(s3)CCCC4)C)Br
InChi [?]:
InChI=1/C17H18BrN5O2S/c1-9-12(18)7-22(20-9)8-14(24)21-23-10(2)19-16-15(17(23)25)11-5-3-4-6-13(11)26-16/h7H,3-6,8H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,23,22,24,21,4,7,2,12,18,3,19,8,15,14,16,26,13,6,10,5,11,9,17,20/rA:26nCCCCNNCCONNCNCCCOCCSCCCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s19;s21;s22;s18s23;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18BrN5O2S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.44975
Area:573.608
Solvation:-4.89045
Coulombic:-38.6084
Bond Count [?]
All:29
Single:22
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:436.327
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.77
LogP (Chemaxon):1.26

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