3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0828 |
| Compound Name: | 3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C24 H26 Cl N3 O3 |
| Smiles: | CC(C)CCN1C(N(C(c2c1c1cc(ccc1n2C)OC)=O)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6173 |
| logD: | 5.6173 |
| logSw: | -5.8744 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.229 |
| InChI Key: | UXZNOKHWLOLUEG-UHFFFAOYSA-N |