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Chemical ID: 3988576
Chemical ID:
3988576
Name [?]:
[2-(1-aminopentyl)thiazol-4-yl]-[4-(1-piperidyl)-1-piperidyl]-methanone
SMILES [?]:
CCCCC(c1nc(cs1)C(=O)N2CCC(CC2)N3CCCCC3)N
InChi [?]:
InChI=1/C19H32N4OS/c1-2-3-7-16(20)18-21-17(14-25-18)19(24)23-12-8-15(9-13-23)22-10-5-4-6-11-22/h14-16H,2-13,20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,22,21,23,4,15,17,20,24,14,18,9,16,5,8,6,11,25,7,19,13,12,10/E:(5,6)(8,9)(10,11)(12,13)/rA:25cCCCCCCNCCSCONCCCCCNCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;s21;s22;s19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32N4OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8806 |
Area: | 599.351 |
Solvation: | -2.10314 |
Coulombic: | -42.1503 |
Bond Count [?]
All: | 27 |
Single: | 24 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 364.55 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.5 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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