Chemical ID: 7222986

CCc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)COc5cc(ccc5C)C)C
Chemical ID:
7222986
Name [?]:
None
SMILES [?]:
CCc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)COc5cc(ccc5C)C)C
InChi [?]:
InChI=1/C23H22N4O2S/c1-5-17-15(4)30-23-20(17)22-25-21(26-27(22)12-24-23)18-9-8-16(29-18)11-28-19-10-13(2)6-7-14(19)3/h6-10,12H,5,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,2,25,26,17,16,23,20,13,24,27,4,18,3,15,22,7,10,8,6,14,9,11,12,21,19,5/rA:30nCCCCSCCCNCNNCNCCCCOCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;s3d6;s7;d8;s9;d10;s8s11;s12;s6d13;s10;d15;s16;d17;s15s18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N4O2S
All Atoms:52
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.7195
Area:655.452
Solvation:-3.66678
Coulombic:-34.9144
Bond Count [?]
All:34
Single:24
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:418.513
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.03
LogP (Chemaxon):5.66

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Descriptor Annotations

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