3-[(2-chlorophenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[(2-chlorophenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0021 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 309.75 |
| Molecular Formula: | C17 H12 Cl N3 O |
| Smiles: | C(c1ccccc1[Cl])N1C=Nc2c3ccccc3[nH]c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1733 |
| logD: | 3.1733 |
| logSw: | -3.3861 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.297 |
| InChI Key: | VTHNYVMKFHDUIR-UHFFFAOYSA-N |