N-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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: | S740-0274 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-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: | 442.51 |
| Molecular Formula: | C19 H27 F N4 O5 S |
| Smiles: | COCCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.6635 |
| logD: | -0.6719 |
| logSw: | -2.1201 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.09 |
| InChI Key: | YOOWCIIHBXNCDA-IAGOWNOFSA-N |