3-[3-(azepan-1-yl)-3-oxopropyl]-7-(5-chloro-2-methylphenyl)-5,6-dimethyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-[3-(azepan-1-yl)-3-oxopropyl]-7-(5-chloro-2-methylphenyl)-5,6-dimethyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
3-[3-(azepan-1-yl)-3-oxopropyl]-7-(5-chloro-2-methylphenyl)-5,6-dimethyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F656-0337 |
| Compound Name: | 3-[3-(azepan-1-yl)-3-oxopropyl]-7-(5-chloro-2-methylphenyl)-5,6-dimethyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 440.97 |
| Molecular Formula: | C24 H29 Cl N4 O2 |
| Smiles: | Cc1ccc(cc1n1c(C)c(C)c2C(N(CCC(N3CCCCCC3)=O)C=Nc12)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1278 |
| logD: | 4.1278 |
| logSw: | -4.6316 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.066 |
| InChI Key: | BSJROQIZJSKAOH-UHFFFAOYSA-N |