3-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | C361-0216 |
| Compound Name: | 3-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(N1CC2CC(C1)C1=CC=CC(N1C2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4145 |
| logD: | 2.4145 |
| logSw: | -2.776 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.005 |
| InChI Key: | HBDIIQHVEKSJNN-UHFFFAOYSA-N |