2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
Compound ID: | G856-1260 |
Compound Name: | 2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide |
Molecular Weight: | 467.95 |
Molecular Formula: | C21 H14 Cl N5 O2 S2 |
Smiles: | C(C(Nc1nccs1)=O)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.8085 |
logD: | 3.8083 |
logSw: | -4.5695 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.746 |
InChI Key: | VDNVFRJQBHIMMT-UHFFFAOYSA-N |