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Chemical ID: 7674557
Chemical ID:
7674557
Name [?]:
None
SMILES [?]:
CCN1CCN(CC1)C(c2cccs2)C(C)NC(=O)C(=O)N(CC)CC
InChi [?]:
InChI=1/C19H32N4O2S/c1-5-21-10-12-23(13-11-21)17(16-9-8-14-26-16)15(4)20-18(24)19(25)22(6-2)7-3/h8-9,14-15,17H,5-7,10-13H2,1-4H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,24,26,16,2,23,25,12,11,4,8,5,7,13,15,10,9,18,20,17,3,22,6,19,21,14/E:(2,3)(6,7)(10,11)(12,13)/rA:26cCCNCCNCCCCCCCSCCNCOCONCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s11;d12;s10s13;s9;s15;s15;s17;d18;s18;d20;s20;s22;s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32N4O2S |
All Atoms: | 58 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.206 |
Area: | 595.532 |
Solvation: | -2.6823 |
Coulombic: | -53.6386 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.13 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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