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Chemical ID: 7243217
Chemical ID:
7243217
Name [?]:
None
SMILES [?]:
CC(C)(C)c1c2c(n(n1)C)-c3ccc(cc3C2=O)NC(=S)Nc4ccc(cc4)OC
InChi [?]:
InChI=1/C23H24N4O2S/c1-23(2,3)21-18-19(27(4)26-21)16-11-8-14(12-17(16)20(18)28)25-22(30)24-13-6-9-15(29-5)10-7-13/h6-12H,1-5H3,(H2,24,25,30)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,30,24,28,13,25,27,12,15,23,14,26,11,16,6,7,17,5,20,2,22,19,9,8,18,29,21/E:(1,2,3)(6,7)(9,10)/rA:30nCCCCCCCNNCCCCCCCCONCSNCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d5s8;s8;s7;s11;d12;s13;d14;d11s15;s6s16;d17;s14;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N4O2S |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.6353 |
Area: | 631.126 |
Solvation: | -4.14284 |
Coulombic: | -44.2353 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.04 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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