2-(3-methylphenoxy)-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-(3-methylphenoxy)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
2-(3-methylphenoxy)-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: | S740-0970 |
| Compound Name: | 2-(3-methylphenoxy)-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: | 409.5 |
| Molecular Formula: | C19 H27 N3 O5 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(COc1cccc(C)c1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6722 |
| logD: | 0.672 |
| logSw: | -2.3988 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.499 |
| InChI Key: | CUQZLJMGEHJDNY-NVXWUHKLSA-N |