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Chemical ID: 4623249
Chemical ID:
4623249
Name [?]:
None
SMILES [?]:
CCN(CC)c1c2c(c3c4c(c(nc3s2)c5ccccc5)CCCC4)ncn1
InChi [?]:
InChI=1/C23H24N4S/c1-3-27(4-2)22-21-20(24-14-25-22)18-16-12-8-9-13-17(16)19(26-23(18)28-21)15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,19,18,20,24,23,17,21,25,22,27,16,10,11,9,12,8,7,6,14,26,28,13,3,15/E:(1,2)(3,4)(6,7)(10,11)/rA:28nCCNCCCCCCCCCNCSCCCCCCCCCCNCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;s16;d17;s18;d19;d16s20;s11;s22;s23;s10s24;s8;d26;d6s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7833 |
Area: | 582.806 |
Solvation: | -1.78681 |
Coulombic: | -26.0034 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 388.53 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.83 |
LogP (Chemaxon): | 6.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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