Chemical ID: 7257541

CS(=O)(=O)c1ccccc1C(=O)N2CCN(CC2)Cc3ccccc3
Chemical ID:
7257541
Name [?]:
(4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)-methanone
SMILES [?]:
CS(=O)(=O)c1ccccc1C(=O)N2CCN(CC2)Cc3ccccc3
InChi [?]:
InChI=1/C19H22N2O3S/c1-25(23,24)18-10-6-5-9-17(18)19(22)21-13-11-20(12-14-21)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,8,7,21,25,9,6,15,17,14,18,19,20,10,5,11,16,13,12,3,4,2/E:(3,4)(7,8)(11,12)(13,14)(23,24)/CRV:25.6/rA:25nCSOOCCCCCCCONCCNCCCCCCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O3S
All Atoms:47
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.52282
Area:531.637
Solvation:-4.76809
Coulombic:-24.7276
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.456
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.44
LogP (Chemaxon):1.54

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