N-[(3-chlorophenyl)methyl]-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-[(3-chlorophenyl)methyl]-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0313 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 409.89 |
| Molecular Formula: | C21 H16 Cl N3 O2 S |
| Smiles: | CN1C(c2cccnc2Sc2cc(ccc12)C(NCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4351 |
| logD: | 3.4351 |
| logSw: | -3.9195 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.904 |
| InChI Key: | FYMGRCXKTPEWHU-UHFFFAOYSA-N |