1-ethyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1-ethyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide
1-ethyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | S740-0968 |
| Compound Name: | 1-ethyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C16 H25 N5 O4 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1ccnn1CC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.9119 |
| logD: | -0.912 |
| logSw: | -2.0546 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.302 |
| InChI Key: | YQTRYHIBSGVDPJ-TZMCWYRMSA-N |