2-(4-methoxyphenyl)-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
Chemical Structure Depiction of
2-(4-methoxyphenyl)-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
2-(4-methoxyphenyl)-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | S740-0616 |
| Compound Name: | 2-(4-methoxyphenyl)-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C20 H29 N3 O5 S |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(Cc1ccc(cc1)OC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5566 |
| logD: | 0.5554 |
| logSw: | -2.2881 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.565 |
| InChI Key: | QOHDGDZCRBXHEA-SJLPKXTDSA-N |