1-[(3-fluorophenyl)methyl]-8-methoxy-3-(4-methoxyphenyl)-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
1-[(3-fluorophenyl)methyl]-8-methoxy-3-(4-methoxyphenyl)-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
1-[(3-fluorophenyl)methyl]-8-methoxy-3-(4-methoxyphenyl)-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-1034 |
| Compound Name: | 1-[(3-fluorophenyl)methyl]-8-methoxy-3-(4-methoxyphenyl)-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C26 H22 F N3 O4 |
| Smiles: | Cn1c2C(N(C(N(Cc3cccc(c3)F)c2c2cc(ccc12)OC)=O)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4673 |
| logD: | 4.4673 |
| logSw: | -4.5545 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.823 |
| InChI Key: | XESPQEFNTDNDDU-UHFFFAOYSA-N |