N-[(4-chlorophenyl)methyl]-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-[(4-chlorophenyl)methyl]-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | F796-0461 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 426.86 |
| Molecular Formula: | C21 H19 Cl N4 O4 |
| Smiles: | COc1cc2c3c(C(N(CC(NCc4ccc(cc4)[Cl])=O)C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.899 |
| logD: | 1.899 |
| logSw: | -3.0336 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.029 |
| InChI Key: | TVLXMRFCKAGCTO-UHFFFAOYSA-N |