General Information of the Compound
| Compound ID |
CP0169740
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| Compound Name |
3,4,5-triethoxy-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide
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| Structure |
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| Formula |
C24H26N2O5S
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| Molecular Weight |
454.548
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| Canonical SMILES |
CCOc1cc(cc(OCC)c1OCC)C(=O)NC(=S)Nc1c(O)ccc2ccccc12
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| InChI |
InChI=1S/C24H26N2O5S/c1-4-29-19-13-16(14-20(30-5-2)22(19)31-6-3)23(28)26-24(32)25-21-17-10-8-7-9-15(17)11-12-18(21)27/h7-14,27H,4-6H2,1-3H3,(H2,25,26,28,32)
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| InChIKey |
ZPBMNPCDUBKACW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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