3-fluoro-4-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
Chemical Structure Depiction of
3-fluoro-4-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
3-fluoro-4-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
Compound characteristics
| Compound ID: | S740-0640 |
| Compound Name: | 3-fluoro-4-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide |
| Molecular Weight: | 411.49 |
| Molecular Formula: | C19 H26 F N3 O4 S |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1ccc(C)c(c1)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3996 |
| logD: | 1.3994 |
| logSw: | -2.4757 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.235 |
| InChI Key: | FQRXHGUYRRKZNG-NVXWUHKLSA-N |