2-[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | E737-0289 |
| Compound Name: | 2-[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C25 H25 Cl N4 O4 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(C(N1CC(NCC1CCCO1)=O)=O)c1cccc(c1)[Cl])=O)n2C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.871 |
| logD: | 2.871 |
| logSw: | -3.4506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.862 |
| InChI Key: | CDCRCCYAOPMEQD-GOSISDBHSA-N |