N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(3-methylphenoxy)acetamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(3-methylphenoxy)acetamide
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(3-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | S740-0240 |
| Compound Name: | N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(3-methylphenoxy)acetamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C20 H29 N3 O6 S |
| Smiles: | Cc1cccc(c1)OCC(N[C@H]1C[C@H]2C(N(CCCOC)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.0247 |
| logD: | -0.0249 |
| logSw: | -2.2818 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.841 |
| InChI Key: | DFZABCHJYISLTH-SJLPKXTDSA-N |