N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-fluorobenzene-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-fluorobenzene-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-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S740-1240 |
| 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-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C16 H20 F N3 O5 S2 |
| Smiles: | C1CC1N1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NS(c1cccc(c1)F)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5802 |
| logD: | 0.5802 |
| logSw: | -2.4068 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.469 |
| InChI Key: | DIDRHWLUZKXJDQ-IUODEOHRSA-N |