N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3,5-dimethyl-1,2-oxazole-4-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]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
Compound characteristics
| Compound ID: | S740-1189 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C15 H22 N4 O6 S2 |
| Smiles: | Cc1c(c(C)on1)S(N[C@H]1C[C@H]2C(N(C3CC3)S(CCN2C1)(=O)=O)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.8265 |
| logD: | -0.8298 |
| logSw: | -1.5724 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.508 |
| InChI Key: | SIYUETSZLCMGCZ-DGCLKSJQSA-N |