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Chemical ID: 6449770
Chemical ID:
6449770
Name [?]:
None
SMILES [?]:
CC(C)(C)C1CCc2c(sc3c2c(=O)n(c(n3)SCC=C)c4ccc(cc4)OC)C1
InChi [?]:
InChI=1/C24H28N2O2S2/c1-6-13-29-23-25-21-20(18-12-7-15(24(2,3)4)14-19(18)30-21)22(27)26(23)16-8-10-17(28-5)11-9-16/h6,8-11,15H,1,7,12-14H2,2-5H3
InChi Info:
AuxInfo=1/0/N:21,1,3,4,29,20,6,23,27,24,26,7,19,30,5,22,25,8,9,12,11,13,16,2,17,15,14,28,18,10/E:(2,3,4)(8,9)(10,11)/rA:30cCCCCCCCCCSCCCONCNSCCCCCCCCCOCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s13;s15;s11d16;s16;s18;s19;d20;s15;s22;d23;s24;d25;d22s26;s25;s28;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O2S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.6363 |
Area: | 657.93 |
Solvation: | -2.81198 |
Coulombic: | -34.3212 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 440.623 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.34 |
LogP (Chemaxon): | 6.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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