3-(3-chlorophenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chlorophenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
Compound ID: | E737-0959 |
Compound Name: | 3-(3-chlorophenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
Molecular Weight: | 425.91 |
Molecular Formula: | C23 H24 Cl N3 O3 |
Smiles: | CC(C)CCN1C(N(C(c2c1c1cc(ccc1n2C)OC)=O)c1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.9788 |
logD: | 4.9788 |
logSw: | -4.8978 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.529 |
InChI Key: | MBRSZCBVXOBDGJ-UHFFFAOYSA-N |