2-(2-methylphenyl)-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-(2-methylphenyl)-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-(2-methylphenyl)-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: | S740-0679 |
| Compound Name: | 2-(2-methylphenyl)-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: | 407.53 |
| Molecular Formula: | C20 H29 N3 O4 S |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(Cc1ccccc1C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4769 |
| logD: | 1.4758 |
| logSw: | -2.3644 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.022 |
| InChI Key: | BPFQNWQUBKPYJK-QZTJIDSGSA-N |