(4-ethylpiperazin-1-yl)[3-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[3-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[3-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-8235 |
| Compound Name: | (4-ethylpiperazin-1-yl)[3-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C30 H33 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1cccc(CSc2nnc(c3cccc(c3)OC)n2c2ccc(cc2)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4376 |
| logD: | 4.2614 |
| logSw: | -4.3173 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.985 |
| InChI Key: | MYMWIXBPLMGIDV-UHFFFAOYSA-N |