N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0555 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1665 |
| logD: | 3.1642 |
| logSw: | -3.657 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.36 |
| InChI Key: | JTAOTDDQNNURRJ-UHFFFAOYSA-N |