6-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-1,2,4-triazin-5(2H)-one
6-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V021-0518 |
| Compound Name: | 6-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C29 H34 F N5 O4 |
| Smiles: | COc1cc(ccc1OCc1cccc(c1)F)C1NN=C(CCC(N2CCN(CC2)C2CCCC2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8798 |
| logD: | 2.8798 |
| logSw: | -3.3571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.105 |
| InChI Key: | GEFHHBOYNPBPMN-UHFFFAOYSA-N |