3,5-dimethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
3,5-dimethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,2-oxazole-4-carboxamide
3,5-dimethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | S740-0665 |
| Compound Name: | 3,5-dimethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C17 H26 N4 O5 S |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1c(C)noc1C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.3736 |
| logD: | -0.3738 |
| logSw: | -1.7008 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.273 |
| InChI Key: | YVGFSVUOZNHSAF-ZIAGYGMSSA-N |