N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,5-difluorobenzamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,5-difluorobenzamide
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,5-difluorobenzamide
Compound characteristics
| Compound ID: | S740-0110 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,5-difluorobenzamide |
| Molecular Weight: | 399.41 |
| Molecular Formula: | C17 H19 F2 N3 O4 S |
| Smiles: | C1CC1N1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1cc(ccc1F)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0006 |
| logD: | 1.0004 |
| logSw: | -2.5082 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.911 |
| InChI Key: | UNGDDJASZUTEOS-IAQYHMDHSA-N |