N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | P895-0315 |
| Compound Name: | N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1656 |
| logD: | 4.1656 |
| logSw: | -4.2496 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.652 |
| InChI Key: | WVPDCFJYHIVUTD-UHFFFAOYSA-N |