N-(5-chloro-2-methoxyphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-0980 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 519.02 |
| Molecular Formula: | C27 H23 Cl N4 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3361 |
| logD: | 5.3343 |
| logSw: | -5.9418 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.2 |
| InChI Key: | LJYAXSGYKBMGOH-UHFFFAOYSA-N |