4-phenyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]butanamide
Chemical Structure Depiction of
4-phenyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]butanamide
4-phenyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]butanamide
Compound characteristics
| Compound ID: | S740-0953 |
| Compound Name: | 4-phenyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]butanamide |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C20 H29 N3 O4 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(CCCc1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1851 |
| logD: | 1.1849 |
| logSw: | -2.2112 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73 |
| InChI Key: | AZRIPBLVHFQMOH-QZTJIDSGSA-N |