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Chemical ID: 6875186
Chemical ID:
6875186
Name [?]:
None
SMILES [?]:
CC1CCc2c(sc3c2c4nnc(n4cn3)c5ccc(cc5)C(=O)C(=O)c6ccccc6)C1
InChi [?]:
InChI=1/C26H20N4O2S/c1-15-7-12-19-20(13-15)33-26-21(19)25-29-28-24(30(25)14-27-26)18-10-8-17(9-11-18)23(32)22(31)16-5-3-2-4-6-16/h2-6,8-11,14-15H,7,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,30,29,31,28,32,3,19,21,18,22,4,33,15,2,27,20,17,5,6,9,25,23,13,10,8,16,12,11,14,26,24,7/E:(3,4)(5,6)(8,9)(10,11)/rA:33cCCCCCCSCCCNNCNCNCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s11;d12;s10s13;s14;s8d15;s13;s17;d18;s19;d20;d17s21;s20;d23;s23;d25;s25;s27;d28;s29;d30;d27s31;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20N4O2S |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.8199 |
Area: | 669.634 |
Solvation: | -2.9209 |
Coulombic: | -38.2803 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 452.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.93 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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