N-(6-acetamido-1,3-benzothiazol-2-yl)-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-(6-acetamido-1,3-benzothiazol-2-yl)-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-(6-acetamido-1,3-benzothiazol-2-yl)-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: | J039-0273 |
| Compound Name: | N-(6-acetamido-1,3-benzothiazol-2-yl)-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: | 537.62 |
| Molecular Formula: | C24 H23 N7 O4 S2 |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1nc2ccc(cc2s1)NC(C)=O)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1125 |
| logD: | 2.1125 |
| logSw: | -2.9538 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.666 |
| InChI Key: | AQJJJSWNOSYIEF-ZDUSSCGKSA-N |