N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | 8018-0218 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | C1[C@H]2CN(C[C@H]1CN1C2=CC=CC1=O)C(Nc1ccc2c(c1)OCCO2)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3675 |
| logD: | 2.3675 |
| logSw: | -3.0615 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.659 |
| InChI Key: | HGPBBNDHVWKVOU-KGLIPLIRSA-N |