2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
Chemical Structure Depiction of
2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
Compound characteristics
| Compound ID: | J039-0015 |
| Compound Name: | 2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C25 H23 N5 O3 S |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1cccc2ccccc12)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6014 |
| logD: | 2.6014 |
| logSw: | -3.2425 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.673 |
| InChI Key: | JEMVDAXZPDUKCK-INIZCTEOSA-N |