2-methyl-7-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
2-methyl-7-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
2-methyl-7-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1556 |
| Compound Name: | 2-methyl-7-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 414.54 |
| Molecular Formula: | C21 H22 N2 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCC(=CC1)c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0061 |
| logD: | 4.0057 |
| logSw: | -4.1283 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.83 |
| InChI Key: | PUTPMHBPCRIBNL-OAHLLOKOSA-N |