N-(2,5-difluorophenyl)-N'-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]urea
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-N'-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]urea
N-(2,5-difluorophenyl)-N'-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]urea
Compound characteristics
| Compound ID: | S740-1331 |
| Compound Name: | N-(2,5-difluorophenyl)-N'-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]urea |
| Molecular Weight: | 446.47 |
| Molecular Formula: | C18 H24 F2 N4 O5 S |
| Smiles: | COCCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(Nc1cc(ccc1F)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.0303 |
| logD: | 0.0277 |
| logSw: | -2.4148 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.07 |
| InChI Key: | RFYVPXDCCIVBPW-CZUORRHYSA-N |