4-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzene-1-sulfonamide
4-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | S740-0208 |
| Compound Name: | 4-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzene-1-sulfonamide |
| Molecular Weight: | 449.52 |
| Molecular Formula: | C17 H24 F N3 O6 S2 |
| Smiles: | COCCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.1451 |
| logD: | -0.1451 |
| logSw: | -2.3522 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.114 |
| InChI Key: | TZLBXDZNDAKAGU-GDBMZVCRSA-N |