N-[4-(4-acetylpiperazin-1-yl)phenyl]-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)acetamide
Chemical Structure Depiction of
N-[4-(4-acetylpiperazin-1-yl)phenyl]-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)acetamide
N-[4-(4-acetylpiperazin-1-yl)phenyl]-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)acetamide
Compound characteristics
| Compound ID: | J039-0270 |
| Compound Name: | N-[4-(4-acetylpiperazin-1-yl)phenyl]-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)acetamide |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C27 H31 N7 O4 S |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1ccc(cc1)N1CCN(CC1)C(C)=O)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5523 |
| logD: | 1.552 |
| logSw: | -2.3711 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.29 |
| InChI Key: | YIFVERPOOUVFOR-SFHVURJKSA-N |