[4-(4-fluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone
Chemical Structure Depiction of
[4-(4-fluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone
[4-(4-fluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone
Compound characteristics
| Compound ID: | SA53-0856 |
| Compound Name: | [4-(4-fluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C21 H22 F N5 O3 S |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)S(c2ccc(cc2)F)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1425 |
| logD: | 2.1419 |
| logSw: | -2.6178 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.762 |
| InChI Key: | WPADMDRTWPKQOP-IBGZPJMESA-N |