N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,2-dimethyl-1H-imidazole-4-sulfonamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,2-dimethyl-1H-imidazole-4-sulfonamide
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,2-dimethyl-1H-imidazole-4-sulfonamide
Compound characteristics
| Compound ID: | S740-1294 |
| Compound Name: | N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,2-dimethyl-1H-imidazole-4-sulfonamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C16 H27 N5 O6 S2 |
| Smiles: | Cc1nc(cn1C)S(N[C@H]1C[C@H]2C(N(CCCOC)S(CCN2C1)(=O)=O)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.8373 |
| logD: | -1.8374 |
| logSw: | -1.5113 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.464 |
| InChI Key: | YGMSLENOYDDKHW-ZIAGYGMSSA-N |