N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
Basic information
- CAS
309967-82-6- Standard SMILES
O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1- InChIKey
GPAGURUSBDPLIP-UHFFFAOYSA-N- Molecular formula
- C30H29FN6O5S2
- Average molar mass
- 636.7 g/mol
- Monoisotopic mass
- 636.16248856
Names & identifiers
- Preferred name
- N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
- IUPAC
- N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
Names & synonyms
309967-82-6N-[[5-[[2-(2,3-Dihydro-1H-indol-1-yl)-2-oxoethyl]thio]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl]-4-(4-morpholinylsulfonyl)benzamideN-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamideDTXSID201101350AKOS024598428SR-01000542056SR-01000542056-1F0721-0898N-((4-(4-fluorophenyl)-5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamideN-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-4-(morpholine-4-sulfonyl)benzamide
Database identifiers
- CAS
309967-82-6- PubChem CID
- 4152771
- DTXSID
DTXSID201101350
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,090
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Compound notes
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