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-oxo-2,3-dihydro-1H-benzimidazol-5-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-(2-oxo-2,3-dihydro-1H-benzimidazol-5-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-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Compound characteristics
| Compound ID: | J039-0143 |
| 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-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide |
| Molecular Weight: | 479.52 |
| Molecular Formula: | C22 H21 N7 O4 S |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1ccc2c(c1)NC(N2)=O)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1905 |
| logD: | 1.1904 |
| logSw: | -2.4227 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.369 |
| InChI Key: | GXDSGUIRDBXNMK-LBPRGKRZSA-N |