4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N,N-dimethyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N,N-dimethyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N,N-dimethyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
Compound ID: | G660-0024 |
Compound Name: | 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N,N-dimethyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
Molecular Weight: | 474.64 |
Molecular Formula: | C23 H30 N4 O3 S2 |
Smiles: | CN(C)S(c1ccc2c(c1)N(CCS2)CC(N1CCN(CC1)Cc1ccccc1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4487 |
logD: | 2.4333 |
logSw: | -2.8312 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 56.398 |
InChI Key: | RXIJNLJZWXRNQE-UHFFFAOYSA-N |