6-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
Chemical Structure Depiction of
6-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
6-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F976-0334 |
| Compound Name: | 6-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one |
| Molecular Weight: | 462.93 |
| Molecular Formula: | C21 H20 Cl F N4 O3 S |
| Smiles: | C1CN(CCN(C1)S(c1ccc(c(c1)[Cl])F)(=O)=O)C1C=CC(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1464 |
| logD: | 3.1464 |
| logSw: | -3.4538 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.555 |
| InChI Key: | ASZXUHIUWCGGMT-UHFFFAOYSA-N |