rel-(8aR,11aS)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0261 |
| Compound Name: | rel-(8aR,11aS)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C19 H26 N2 O5 S |
| Smiles: | C1CCNC([C@@H]2CCC[C@@H]2N(CC1)S(c1ccc2c(c1)OCCO2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9876 |
| logD: | 0.9876 |
| logSw: | -2.4597 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.537 |
| InChI Key: | HEWGSTOOVPXYSL-CVEARBPZSA-N |