N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]ethanesulfonamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]ethanesulfonamide
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]ethanesulfonamide
Compound characteristics
| Compound ID: | S740-1063 |
| Compound Name: | N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]ethanesulfonamide |
| Molecular Weight: | 383.48 |
| Molecular Formula: | C13 H25 N3 O6 S2 |
| Smiles: | CCS(N[C@H]1C[C@H]2C(N(CCCOC)S(CCN2C1)(=O)=O)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.5179 |
| logD: | -1.5179 |
| logSw: | -1.4737 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.013 |
| InChI Key: | BUKJZBGRVGYDTB-VXGBXAGGSA-N |