1-ethyl-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-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)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide
1-ethyl-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | S740-0743 |
| Compound Name: | 1-ethyl-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C16 H25 N5 O5 S |
| Smiles: | CCn1c(ccn1)C(N[C@H]1C[C@H]2C(N(CCOC)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.8323 |
| logD: | -1.8323 |
| logSw: | -2.0222 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.645 |
| InChI Key: | NZBIPRSIRWXSQC-TZMCWYRMSA-N |