3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-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-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | C137-2310 |
| Compound Name: | 3-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 518.43 |
| Molecular Formula: | C23 H24 Br N3 O4 S |
| Smiles: | C1CN(C(C2CC2)=O)c2cc(c(cc12)[Br])S(N1CC2CC(C1)C1=CC=CC(N1C2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4741 |
| logD: | 3.4741 |
| logSw: | -3.7628 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.85 |
| InChI Key: | ZMPVNIUYBPWTOM-UHFFFAOYSA-N |