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Chemical ID: 6182827
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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