3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one
3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V017-8448 |
| Compound Name: | 3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 578.64 |
| Molecular Formula: | C30 H35 F N6 O5 |
| Salt: | not_available |
| Smiles: | COc1cc(ccc1OCc1cccc(c1)F)C1NN=C(CCC(N2CCN(CC2)CC(N2CCCC2)=O)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4199 |
| logD: | 1.4199 |
| logSw: | -2.0242 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.944 |
| InChI Key: | GOKVWMPHXYYKLQ-UHFFFAOYSA-N |