N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylbenzamide
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]-3-methylbenzamide
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | S740-1223 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylbenzamide |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | Cc1cccc(c1)C(N[C@H]1C[C@H]2C(N(C3CC3)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.73 |
| logD: | 0.7299 |
| logSw: | -2.3207 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.911 |
| InChI Key: | OZHLXLUVFLWZGR-GDBMZVCRSA-N |