2,5-difluoro-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
Chemical Structure Depiction of
2,5-difluoro-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
2,5-difluoro-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
Compound characteristics
| Compound ID: | S740-0963 |
| Compound Name: | 2,5-difluoro-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide |
| Molecular Weight: | 401.43 |
| Molecular Formula: | C17 H21 F2 N3 O4 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1cc(ccc1F)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9363 |
| logD: | 0.9362 |
| logSw: | -2.5811 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.213 |
| InChI Key: | FKRYLIVYDNZRFC-IUODEOHRSA-N |