3-(2-methoxyphenyl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide
Chemical Structure Depiction of
3-(2-methoxyphenyl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide
3-(2-methoxyphenyl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide
Compound characteristics
| Compound ID: | S740-0982 |
| Compound Name: | 3-(2-methoxyphenyl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C20 H29 N3 O5 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(CCc1ccccc1OC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7047 |
| logD: | 0.7045 |
| logSw: | -2.2169 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.63 |
| InChI Key: | XYSCOAWQLNTSDH-IAGOWNOFSA-N |