N-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | L880-0285 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 460.91 |
| Molecular Formula: | C21 H18 Cl F N4 O3 S |
| Smiles: | CN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7339 |
| logD: | 3.729 |
| logSw: | -4.1399 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.172 |
| InChI Key: | YJLFUJYBZCPVQC-UHFFFAOYSA-N |