N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-(3-fluorophenyl)methanesulfonamide
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]-1-(3-fluorophenyl)methanesulfonamide
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-(3-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | S740-1284 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-(3-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 431.5 |
| Molecular Formula: | C17 H22 F N3 O5 S2 |
| Smiles: | C1CC1N1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NS(Cc1cccc(c1)F)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6018 |
| logD: | 0.6018 |
| logSw: | -2.2752 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.096 |
| InChI Key: | MYUIPICWSFGDHR-GDBMZVCRSA-N |