Chemical ID: 7276738

CN(Cc1cccs1)C(=O)CN2CCN(CC2)C(=O)c3ccccc3
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

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Descriptor Annotations

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