2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
Chemical Structure Depiction of
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | S740-0730 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C17 H26 N4 O6 S |
| Smiles: | Cc1c(CC(N[C@H]2C[C@H]3C(N(CCOC)S(CCN3C2)(=O)=O)=O)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | -1.5269 |
| logD: | -1.527 |
| logSw: | -1.5292 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.381 |
| InChI Key: | KYRHMTMHWCWFQJ-UKRRQHHQSA-N |