N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-methylpyridine-3-carboxamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-methylpyridine-3-carboxamide
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-methylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | S740-0747 |
| Compound Name: | N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-methylpyridine-3-carboxamide |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C17 H24 N4 O5 S |
| Smiles: | Cc1cc(cnc1)C(N[C@H]1C[C@H]2C(N(CCOC)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.3842 |
| logD: | -1.3843 |
| logSw: | -1.7347 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.163 |
| InChI Key: | KPSHDVYJJVXDCT-HUUCEWRRSA-N |