N-(3-chloro-4-fluorophenyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
N-(3-chloro-4-fluorophenyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Compound characteristics
| Compound ID: | C675-0002 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide |
| Molecular Weight: | 474.94 |
| Molecular Formula: | C22 H20 Cl F N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(Nc3ccc(c(c3)[Cl])F)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.6484 |
| logD: | 3.6331 |
| logSw: | -4.0516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.948 |
| InChI Key: | OOSVGHGIKHXEEX-UHFFFAOYSA-N |