[4-(2-fluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[4-(2-fluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(2-fluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0989 |
| Compound Name: | [4-(2-fluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C20 H21 F N6 O3 S |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)S(c2ccccc2F)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8311 |
| logD: | 0.8281 |
| logSw: | -1.8327 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.19 |
| InChI Key: | IUSRREDWDWEWTI-KRWDZBQOSA-N |