Chemical ID: 7222506

Cc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)COc5ccccc5Br)C
Chemical ID:
7222506
Name [?]:
None
SMILES [?]:
Cc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)COc5ccccc5Br)C
InChi [?]:
InChI=1/C20H15BrN4O2S/c1-11-12(2)28-20-17(11)19-23-18(24-25(19)10-22-20)16-8-7-13(27-16)9-26-15-6-4-3-5-14(15)21/h3-8,10H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,24,23,25,22,16,15,19,12,2,3,17,26,21,14,6,9,7,5,27,13,8,10,11,20,18,4/rA:28nCCCSCCCNCNNCNCCCCOCOCCCCCCBrC/rB:s1;d2;s3;s4;s2d5;s6;d7;s8;d9;s7s10;s11;s5d12;s9;d14;s15;d16;s14s17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15BrN4O2S
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.6441
Area:619.7
Solvation:-3.84836
Coulombic:-34.7599
Bond Count [?]
All:32
Single:22
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:455.329
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.7
LogP (Chemaxon):5.12

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Experimental Annotations

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Descriptor Annotations

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