Chemical ID: 4377293

c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc4c3cccc4S(=O)(=O)N5CCN(CC5)c6ccccc6
Chemical ID:
4377293
Name [?]:
1-phenyl-4-[[5-(4-phenylpiperazin-1-yl)sulfonyl-1-naphthyl]sulfonyl]piperazine
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc4c3cccc4S(=O)(=O)N5CCN(CC5)c6ccccc6
InChi [?]:
InChI=1/C30H32N4O4S2/c35-39(36,33-21-17-31(18-22-33)25-9-3-1-4-10-25)29-15-7-14-28-27(29)13-8-16-30(28)40(37,38)34-23-19-32(20-24-34)26-11-5-2-6-12-26/h1-16H,17-24H2
InChi Info:
AuxInfo=1/0/N:1,38,2,6,37,39,18,23,3,5,36,40,22,19,17,24,8,12,31,33,9,11,30,34,4,35,21,20,16,25,7,32,10,29,14,15,27,28,13,26/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18,19,20)(21,22,23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36,37,38)(39,40)/CRV:39.6,40.6/rA:40nCCCCCCNCCNCCSOOCCCCCCCCCCSOONCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;d13;s13;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s25;d26;d26;s26;s29;s30;s31;s32;s29s33;s32;s35;d36;s37;d38;d35s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H32N4O4S2
All Atoms:40
Heavy Atoms:40
Chiral Atoms:0
ZAP Information [?]
Total:14.4992
Area:765.453
Solvation:-4.63715
Coulombic:-30.5026
Bond Count [?]
All:45
Single:30
Double:15
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:576.732
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:5.09
LogP (Chemaxon):5.21

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