N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(pyridin-3-yl)acetamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(pyridin-3-yl)acetamide
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(pyridin-3-yl)acetamide
Compound characteristics
| Compound ID: | S740-0241 |
| Compound Name: | N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(pyridin-3-yl)acetamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C18 H26 N4 O5 S |
| Smiles: | COCCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(Cc1cccnc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.8455 |
| logD: | -1.847 |
| logSw: | -1.4066 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.86 |
| InChI Key: | WBTANTNFXVBWSD-HZPDHXFCSA-N |