6-methoxy-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
6-methoxy-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-3-carboxamide
6-methoxy-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S740-0950 |
| Compound Name: | 6-methoxy-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-3-carboxamide |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C17 H24 N4 O5 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1ccc(nc1)OC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.1375 |
| logD: | -0.1375 |
| logSw: | -2.2565 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.795 |
| InChI Key: | BWZQTLLDEQUOCB-ZIAGYGMSSA-N |