N-(2,5-diethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2,5-diethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2,5-diethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
Compound ID: | E975-1616 |
Compound Name: | N-(2,5-diethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
Molecular Weight: | 422.52 |
Molecular Formula: | C19 H22 N2 O5 S2 |
Smiles: | CCOc1ccc(c(c1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)OCC |
Stereo: | ACHIRAL |
logP: | 3.097 |
logD: | 1.9006 |
logSw: | -3.5335 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.676 |
InChI Key: | BPZRRTOEVIDMAB-UHFFFAOYSA-N |