3-[(4-chlorophenyl)methyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[(4-chlorophenyl)methyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0329 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 369.81 |
| Molecular Formula: | C19 H16 Cl N3 O3 |
| Smiles: | COc1cc2c3c(C(N(Cc4ccc(cc4)[Cl])C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5581 |
| logD: | 2.5581 |
| logSw: | -3.4633 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.558 |
| InChI Key: | VSULKPRJIBNAES-UHFFFAOYSA-N |