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Chemical ID: 7276738
Chemical ID:
7276738
Name [?]:
2-(4-benzoylpiperazin-1-yl)-N-methyl-N-(2-thienylmethyl)acetamide
SMILES [?]:
CN(Cc1cccs1)C(=O)CN2CCN(CC2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C19H23N3O2S/c1-20(14-17-8-5-13-25-17)18(23)15-21-9-11-22(12-10-21)19(24)16-6-3-2-4-7-16/h2-8,13H,9-12,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,6,21,25,5,13,17,14,16,7,3,11,20,4,9,18,2,12,15,10,19,8/E:(3,4)(6,7)(9,10)(11,12)/rA:25nCNCCCCCSCOCNCCNCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s2;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O2S |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4762 |
Area: | 573.123 |
Solvation: | -3.85188 |
Coulombic: | -40.1221 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.471 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.3 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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