2-{3-[(2-chlorophenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{3-[(2-chlorophenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-{3-[(2-chlorophenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | F394-0550 |
| Compound Name: | 2-{3-[(2-chlorophenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 489.02 |
| Molecular Formula: | C28 H29 Cl N4 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3[Cl])C=N1)=O)n2CC(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.068 |
| logD: | 5.068 |
| logSw: | -5.2202 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.433 |
| InChI Key: | PDTJBJLVZJLJPW-UHFFFAOYSA-N |