2-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
Chemical Structure Depiction of
2-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
2-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | S740-0939 |
| Compound Name: | 2-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C19 H24 N4 O6 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(CN1C(=O)Oc2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.3214 |
| logD: | -0.3215 |
| logSw: | -2.2716 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.1 |
| InChI Key: | LHEMHQPEAAMFRW-UKRRQHHQSA-N |