3-(3-chlorophenyl)-5,8-dimethyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-5,8-dimethyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chlorophenyl)-5,8-dimethyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0322 |
| Compound Name: | 3-(3-chlorophenyl)-5,8-dimethyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 409.91 |
| Molecular Formula: | C23 H24 Cl N3 O2 |
| Smiles: | CC(C)CCN1C(N(C(c2c1c1cc(C)ccc1n2C)=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4085 |
| logD: | 5.4085 |
| logSw: | -5.7442 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.986 |
| InChI Key: | CNFJQYXOQAAUCN-UHFFFAOYSA-N |