N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,3-dihydro-1H-indene-5-sulfonamide
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]-2,3-dihydro-1H-indene-5-sulfonamide
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,3-dihydro-1H-indene-5-sulfonamide
Compound characteristics
| Compound ID: | S740-0156 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,3-dihydro-1H-indene-5-sulfonamide |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C19 H25 N3 O5 S2 |
| Smiles: | C1Cc2ccc(cc2C1)S(N[C@H]1C[C@H]2C(N(C3CC3)S(CCN2C1)(=O)=O)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4305 |
| logD: | 1.4305 |
| logSw: | -2.4632 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.756 |
| InChI Key: | JHKMZZDDTMGJBP-CRAIPNDOSA-N |