2,6-dimethoxy-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
2,6-dimethoxy-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
2,6-dimethoxy-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: | S740-0916 |
| Compound Name: | 2,6-dimethoxy-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: | 426.49 |
| Molecular Formula: | C18 H26 N4 O6 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1ccc(nc1OC)OC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7661 |
| logD: | 0.766 |
| logSw: | -2.505 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.575 |
| InChI Key: | DXGZSSFATNUDBW-TZMCWYRMSA-N |