N-cyclohexyl-5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide
Chemical Structure Depiction of
N-cyclohexyl-5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide
N-cyclohexyl-5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide
Compound characteristics
Compound ID: | C200-1963 |
Compound Name: | N-cyclohexyl-5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide |
Molecular Weight: | 415.58 |
Molecular Formula: | C21 H25 N3 O2 S2 |
Smiles: | C1CCC(CC1)NC(CCCCN1C(c2c(c3ccccc3s2)NC1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7515 |
logD: | 3.751 |
logSw: | -4.0042 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 49.988 |
InChI Key: | NXALSDGXGLYOBM-UHFFFAOYSA-N |