3-chloro-4-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
3-chloro-4-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
Compound characteristics
| Compound ID: | S740-1300 |
| Compound Name: | 3-chloro-4-fluoro-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide |
| Molecular Weight: | 447.91 |
| Molecular Formula: | C18 H23 Cl F N3 O5 S |
| Smiles: | COCCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1377 |
| logD: | 0.1377 |
| logSw: | -2.9129 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.556 |
| InChI Key: | YRMYAARNJSMOOI-XJKSGUPXSA-N |