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Chemical ID: 5891885
Chemical ID:
5891885
Name [?]:
2-chloro-2-phenyl-N-[4-(1-piperidyl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-acetamide
SMILES [?]:
c1ccc(cc1)C(C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCCC4)Cl
InChi [?]:
InChI=1/C24H28ClN3O2/c25-22(18-9-3-1-4-10-18)23(29)26-19-11-12-21(27-13-5-2-6-14-27)20(17-19)24(30)28-15-7-8-16-28/h1,3-4,9-12,17,22H,2,5-8,13-16H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,27,2,6,26,28,21,22,3,5,12,13,25,29,20,23,16,4,11,15,14,7,8,17,30,10,24,19,9,18/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:30cCCCCCCCCONCCCCCCCONCCCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s19s22;s14;s24;s25;s26;s27;s24s28;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28ClN3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0021 |
Area: | 650.899 |
Solvation: | -4.27033 |
Coulombic: | -45.2738 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 425.951 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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