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Chemical ID: 7222986
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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