N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(thiophen-2-yl)acetamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(thiophen-2-yl)acetamide
N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(thiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | S740-0657 |
| Compound Name: | N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(thiophen-2-yl)acetamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C17 H25 N3 O4 S2 |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(Cc1cccs1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.0981 |
| logD: | 0.0969 |
| logSw: | -2.2853 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.04 |
| InChI Key: | XENZJADOBVEBHT-UKRRQHHQSA-N |