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Chemical ID: 7674341
Chemical ID:
7674341
Name [?]:
None
SMILES [?]:
CCN(CC)C(=O)C(=O)NC(C)C(c1cccs1)N2CCN(CC2)C
InChi [?]:
InChI=1/C18H30N4O2S/c1-5-21(6-2)18(24)17(23)19-14(3)16(15-8-7-13-25-15)22-11-9-20(4)10-12-22/h7-8,13-14,16H,5-6,9-12H2,1-4H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,5,12,25,2,4,16,15,21,23,20,24,17,11,14,13,8,6,10,22,3,19,9,7,18/E:(1,2)(5,6)(9,10)(11,12)/rA:25cCCNCCCOCONCCCCCCCSNCCNCCC/rB:s1;s2;s3;s4;s3;d6;s6;d8;s8;s10;s11;s11;s13;d14;s15;d16;s14s17;s13;s19;s20;s21;s22;s19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H30N4O2S |
All Atoms: | 55 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5651 |
Area: | 571.846 |
Solvation: | -2.7311 |
Coulombic: | -53.4541 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.71 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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