methyl 3-{[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl]amino}benzoate
methyl 3-{[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P617-0595 |
| Compound Name: | methyl 3-{[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl]amino}benzoate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(Nc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4653 |
| logD: | 4.4649 |
| logSw: | -4.4213 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.71 |
| InChI Key: | XURGMFPAMKBZAI-UHFFFAOYSA-N |