7-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | E975-1564 |
| Compound Name: | 7-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C20 H20 N2 O3 S2 |
| Smiles: | C1CN(CC=C1c1ccccc1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5654 |
| logD: | 3.5652 |
| logSw: | -3.847 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.83 |
| InChI Key: | RBFAMDSAWKIXHR-UHFFFAOYSA-N |