4-[(8-chloro-7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
Chemical Structure Depiction of
4-[(8-chloro-7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
4-[(8-chloro-7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
Compound characteristics
| Compound ID: | Y043-3544 |
| Compound Name: | 4-[(8-chloro-7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-N,N-dimethylpiperazine-1-sulfonamide |
| Molecular Weight: | 441.93 |
| Molecular Formula: | C19 H24 Cl N3 O5 S |
| Smiles: | CN(C)S(N1CCN(CC1)Cc1c(c(cc2C3CCCC=3C(=O)Oc12)[Cl])O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2947 |
| logD: | 2.2208 |
| logSw: | -3.3077 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.22 |
| InChI Key: | JSXSASKAXGPAJV-UHFFFAOYSA-N |