N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(3-methylphenyl)acetamide
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]-2-(3-methylphenyl)acetamide
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | S740-0746 |
| 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]-2-(3-methylphenyl)acetamide |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C19 H27 N3 O5 S |
| Smiles: | Cc1cccc(CC(N[C@H]2C[C@H]3C(N(CCOC)S(CCN3C2)(=O)=O)=O)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | -0.0894 |
| logD: | -0.0895 |
| logSw: | -2.2748 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.342 |
| InChI Key: | BJWFAIMNIOLRJY-IAGOWNOFSA-N |