1-ethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-ethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-3-carboxamide
1-ethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | S740-0685 |
| Compound Name: | 1-ethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C17 H27 N5 O4 S |
| Smiles: | CCn1ccc(C(N[C@H]2C[C@H]3C(N(CC(C)C)S(CCN3C2)(=O)=O)=O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | -0.4805 |
| logD: | -0.4808 |
| logSw: | -2.1613 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.62 |
| InChI Key: | RKGUWGLHLVSQEL-UKRRQHHQSA-N |