N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,4-dimethoxybenzamide
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]-2,4-dimethoxybenzamide
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | S740-0176 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,4-dimethoxybenzamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C19 H25 N3 O6 S |
| Smiles: | COc1ccc(C(N[C@H]2C[C@H]3C(N(C4CC4)S(CCN3C2)(=O)=O)=O)=O)c(c1)OC |
| Stereo: | ABSOLUTE |
| logP: | 0.6918 |
| logD: | 0.6917 |
| logSw: | -2.4856 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.085 |
| InChI Key: | JTHNHUWJANZRSP-MLGOLLRUSA-N |