methyl 4-[3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamido]benzoate
methyl 4-[3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | L705-0219 |
| Compound Name: | methyl 4-[3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C20 H20 N2 O6 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8842 |
| logD: | 1.8833 |
| logSw: | -2.7055 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.478 |
| InChI Key: | LSWPIMIETLBTEQ-UHFFFAOYSA-N |