N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-imidazole-4-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]-1-methyl-1H-imidazole-4-carboxamide
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-imidazole-4-carboxamide
Compound characteristics
| Compound ID: | S740-0766 |
| 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]-1-methyl-1H-imidazole-4-carboxamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C15 H23 N5 O5 S |
| Smiles: | Cn1cc(C(N[C@H]2C[C@H]3C(N(CCOC)S(CCN3C2)(=O)=O)=O)=O)nc1 |
| Stereo: | ABSOLUTE |
| logP: | -2.3188 |
| logD: | -2.3189 |
| logSw: | -1.8403 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.192 |
| InChI Key: | XEDDCGCWAOLFLK-DGCLKSJQSA-N |