3-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-1,2,4-triazin-5(2H)-one
3-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | C795-2277 |
| Compound Name: | 3-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C27 H29 N5 O3 S |
| Smiles: | Cc1c(CSC2NN=C(CCC(N3CCCC3)=O)C(N2c2ccccc2)=O)nc(c2ccccc2)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.753 |
| logD: | 3.7503 |
| logSw: | -3.8335 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.221 |
| InChI Key: | OKSQGGJNJRHYNV-MHZLTWQESA-N |