4-[(acetyloxy)imino]-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
Chemical Structure Depiction of
4-[(acetyloxy)imino]-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
4-[(acetyloxy)imino]-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
Compound characteristics
| Compound ID: | 8755-0201 |
| Compound Name: | 4-[(acetyloxy)imino]-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C17 H19 N3 O3 S |
| Smiles: | CC(=O)O/N=C1\CCCc2c3C(N4CCCCCC4=Nc3sc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4062 |
| logD: | 2.4062 |
| logSw: | -2.0981 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.239 |
| InChI Key: | XAWQKDDKFVQVNZ-UHFFFAOYSA-N |