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-(2-phenylethyl)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-(2-phenylethyl)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-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | J039-0219 |
| 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-(2-phenylethyl)acetamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CC(c1nnc(n1C)SCC(NCCc1ccccc1)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4884 |
| logD: | 1.4884 |
| logSw: | -2.1999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.806 |
| InChI Key: | OFOOITYQABONHF-INIZCTEOSA-N |