2-ethoxy-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
Chemical Structure Depiction of
2-ethoxy-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
2-ethoxy-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
Compound characteristics
| Compound ID: | S740-0647 |
| Compound Name: | 2-ethoxy-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C20 H29 N3 O5 S |
| Smiles: | CCOc1ccccc1C(N[C@H]1C[C@H]2C(N(CC(C)C)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3172 |
| logD: | 1.3171 |
| logSw: | -2.5412 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.445 |
| InChI Key: | VKWUECOXAAFRTM-NVXWUHKLSA-N |