N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-phenylpropanamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-phenylpropanamide
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | S740-0718 |
| Compound Name: | N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-phenylpropanamide |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C19 H27 N3 O5 S |
| Smiles: | COCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(CCc1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.2036 |
| logD: | -0.2037 |
| logSw: | -2.148 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.342 |
| InChI Key: | PZPOVSCWIUZESQ-IAGOWNOFSA-N |