5-chloro-9,10,11,12-tetrahydro-8H-[1]benzothieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
Chemical Structure Depiction of
5-chloro-9,10,11,12-tetrahydro-8H-[1]benzothieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
5-chloro-9,10,11,12-tetrahydro-8H-[1]benzothieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
Compound characteristics
Compound ID: | 3993-2446 |
Compound Name: | 5-chloro-9,10,11,12-tetrahydro-8H-[1]benzothieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one |
Molecular Weight: | 341.82 |
Molecular Formula: | C17 H12 Cl N3 O S |
Smiles: | C1CCc2c(C1)c1C(N3C(c4ccccc4C(=N3)[Cl])=Nc1s2)=O |
Stereo: | ACHIRAL |
logP: | 3.8793 |
logD: | 3.8791 |
logSw: | -4.7458 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 36.675 |
InChI Key: | LEAKHMVYHBRCTD-UHFFFAOYSA-N |