N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylbutanamide
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]-3-methylbutanamide
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | S740-1226 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylbutanamide |
| Molecular Weight: | 343.44 |
| Molecular Formula: | C15 H25 N3 O4 S |
| Smiles: | CC(C)CC(N[C@H]1C[C@H]2C(N(C3CC3)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.2821 |
| logD: | 0.2812 |
| logSw: | -1.919 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.969 |
| InChI Key: | UNZVCBOXAYTUCI-DGCLKSJQSA-N |