Chemical ID: 7222422

Cc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)COc5ccc(cc5Cl)Br)C
Chemical ID:
7222422
Name [?]:
None
SMILES [?]:
Cc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)COc5ccc(cc5Cl)Br)C
InChi [?]:
InChI=1/C20H14BrClN4O2S/c1-10-11(2)29-20-17(10)19-24-18(25-26(19)9-23-20)16-6-4-13(28-16)8-27-15-5-3-12(21)7-14(15)22/h3-7,9H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,23,16,22,15,25,19,12,2,3,24,17,26,21,14,6,9,7,5,28,27,13,8,10,11,20,18,4/rA:29nCCCSCCCNCNNCNCCCCOCOCCCCCCClBrC/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;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14BrClN4O2S
All Atoms:43
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.4434
Area:654.654
Solvation:-3.92296
Coulombic:-34.5018
Bond Count [?]
All:33
Single:23
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:489.774
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.33
LogP (Chemaxon):5.64

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Descriptor Annotations

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