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Chemical ID: 5275557
Chemical ID:
5275557
Name [?]:
None
SMILES [?]:
CC(C)CNc1c2c(c3c4c(c(nc3s2)C(C)C)CCC4)ncn1
InChi [?]:
InChI=1/C19H24N4S/c1-10(2)8-20-18-17-16(21-9-22-18)14-12-6-5-7-13(12)15(11(3)4)23-19(14)24-17/h9-11H,5-8H2,1-4H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,20,21,19,4,23,2,16,10,11,9,12,8,7,6,14,5,22,24,13,15/E:(1,2)(3,4)/rA:24nCCCCNCCCCCCCNCSCCCCCCNCN/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;s16;s16;s11;s19;s10s20;s8;d22;d6s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3247 |
Area: | 552.67 |
Solvation: | -1.49202 |
Coulombic: | -29.4176 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 340.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.76 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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