N-(4-fluorophenyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide
N-(4-fluorophenyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide
Compound characteristics
| Compound ID: | C664-0009 |
| Compound Name: | N-(4-fluorophenyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H19 F N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCC(Nc3ccc(cc3)F)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.4331 |
| logD: | 2.4329 |
| logSw: | -2.983 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.948 |
| InChI Key: | DQRKFVVHNBWRNH-UHFFFAOYSA-N |