7-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-diethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
7-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-diethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
7-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-diethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | L462-0106 |
| Compound Name: | 7-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-diethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C23 H28 Cl N5 O3 |
| Smiles: | CCN1C(c2ccn(CC(N3CCN(CC3)c3cc(ccc3C)[Cl])=O)c2N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5411 |
| logD: | 3.5411 |
| logSw: | -3.7379 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.954 |
| InChI Key: | XMLCQLIRTJRUCP-UHFFFAOYSA-N |