4-acetyl-N-{2-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
4-acetyl-N-{2-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
4-acetyl-N-{2-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | G718-0800 |
| Compound Name: | 4-acetyl-N-{2-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C21 H22 F N5 O4 S |
| Smiles: | CC1CN(C(C)=O)c2cc(ccc2O1)S(NCCc1nc(c2ccc(cc2)F)[nH]n1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.718 |
| logD: | 2.7055 |
| logSw: | -3.4115 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.714 |
| InChI Key: | COIVBRUIXRAAPW-CYBMUJFWSA-N |