N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G943-0829 |
| Compound Name: | N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C24 H20 N2 O4 S |
| Smiles: | CC(C)N1C(c2ccccc2Sc2cc(ccc12)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1356 |
| logD: | 5.1356 |
| logSw: | -4.9041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.599 |
| InChI Key: | VXDNTBKNLPQHNL-UHFFFAOYSA-N |