N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-methylpropanamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-methylpropanamide
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-methylpropanamide
Compound characteristics
| Compound ID: | S740-1170 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-methylpropanamide |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C14 H23 N3 O4 S |
| Smiles: | CC(C)C(N[C@H]1C[C@H]2C(N(C3CC3)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.1872 |
| logD: | -0.1883 |
| logSw: | -1.7178 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.183 |
| InChI Key: | XWQHHFZPURATRI-ZYHUDNBSSA-N |