N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-fluoro-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-fluoro-4-methylbenzene-1-sulfonamide
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-fluoro-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S740-1140 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-fluoro-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 431.5 |
| Molecular Formula: | C17 H22 F N3 O5 S2 |
| Smiles: | Cc1ccc(cc1F)S(N[C@H]1C[C@H]2C(N(C3CC3)S(CCN2C1)(=O)=O)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.147 |
| logD: | 1.147 |
| logSw: | -2.4592 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.469 |
| InChI Key: | BIJVUDAMTLWAQR-MLGOLLRUSA-N |