5-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-2-carboxamide
Chemical Structure Depiction of
5-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-2-carboxamide
5-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | S740-0254 |
| Compound Name: | 5-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-2-carboxamide |
| Molecular Weight: | 414.45 |
| Molecular Formula: | C17 H23 F N4 O5 S |
| Smiles: | COCCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1ccc(cn1)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.8115 |
| logD: | -0.8116 |
| logSw: | -2.0027 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.693 |
| InChI Key: | ZCEDRANVEXHCFS-UKRRQHHQSA-N |