2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-imine
Chemical Structure Depiction of
2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-imine
2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-imine
Compound characteristics
| Compound ID: | 8755-0138 |
| Compound Name: | 2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-imine |
| Molecular Weight: | 273.4 |
| Molecular Formula: | C15 H19 N3 S |
| Smiles: | C1CCC2=Nc3c(C(=N)N2CC1)c1CCCCc1s3 |
| Stereo: | ACHIRAL |
| logP: | 3.1013 |
| logD: | -2.4566 |
| logSw: | -3.1996 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2377 |
| InChI Key: | XPQWMGWXYPBSTH-UHFFFAOYSA-N |