Chemical ID: 6182827

c1ccc(cc1)SCCC(=O)Nc2cccc(c2)NC(=O)CCSc3ccccc3
Chemical ID:
6182827
Name [?]:
3-phenylsulfanyl-N-[3-(3-phenylsulfanylpropanoylamino)phenyl]-propanamide
SMILES [?]:
c1ccc(cc1)SCCC(=O)Nc2cccc(c2)NC(=O)CCSc3ccccc3
InChi [?]:
InChI=1/C24H24N2O2S2/c27-23(14-16-29-21-10-3-1-4-11-21)25-19-8-7-9-20(18-19)26-24(28)15-17-30-22-12-5-2-6-13-22/h1-13,18H,14-17H2,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,28,2,6,27,29,15,14,16,3,5,26,30,9,22,8,23,18,13,17,4,25,10,20,12,19,11,21,7,24/E:(1,2)(3,4,5,6)(8,9)(10,11,12,13)(14,15)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:30nCCCCCCSCCCONCCCCCCNCOCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N2O2S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.9672
Area:710.608
Solvation:-3.79802
Coulombic:-43.6663
Bond Count [?]
All:32
Single:21
Double:11
Rotors:12
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:436.592
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.17
LogP (Chemaxon):5.67

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Descriptor Annotations

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