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Chemical ID: 4754737
Chemical ID:
4754737
Name [?]:
1-[(2,5-dichloro-3-thienyl)sulfonyl]-4-(1-piperidyl)piperidine-4-carboxamide
SMILES [?]:
c1c(c(sc1Cl)Cl)S(=O)(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3
InChi [?]:
InChI=1/C15H21Cl2N3O3S2/c16-12-10-11(13(17)24-12)25(22,23)20-8-4-15(5-9-20,14(18)21)19-6-2-1-3-7-19/h10H,1-9H2,(H2,18,21)
InChi Info:
AuxInfo=1/1/N:23,22,24,13,15,21,25,12,16,1,2,5,3,17,14,6,7,19,20,11,18,9,10,4,8/E:(2,3)(4,5)(6,7)(8,9)(22,23)/CRV:25.6/rA:25nCCCSCClClSOONCCCCCCONNCCCCC/rB:s1;d2;s3;d1s4;s5;s3;s2;d8;d8;s8;s11;s12;s13;s14;s11s15;s14;d17;s17;s14;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21Cl2N3O3S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8775 |
Area: | 552.002 |
Solvation: | -2.92252 |
Coulombic: | -38.6137 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 426.383 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.63 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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