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Chemical ID: 5891864
Chemical ID:
5891864
Name [?]:
N-[4-(1-piperidyl)-3-pyrrolidin-1-ylcarbonyl-phenyl]thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCCC4
InChi [?]:
InChI=1/C21H25N3O2S/c25-20(19-7-6-14-27-19)22-16-8-9-18(23-10-2-1-3-11-23)17(15-16)21(26)24-12-4-5-13-24/h6-9,14-15H,1-5,10-13H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:25,24,26,19,20,1,2,10,11,23,27,18,21,5,14,9,13,12,3,6,15,8,22,17,7,16,4/E:(2,3)(4,5)(10,11)(12,13)/rA:27nCCCSCCONCCCCCCCONCCCCNCCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;s17s20;s12;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3169 |
Area: | 593.091 |
Solvation: | -3.51041 |
Coulombic: | -45.1639 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 383.508 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.14 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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