(4-methylpiperazin-1-yl)[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-methylpiperazin-1-yl)[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-methylpiperazin-1-yl)[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V001-0185 |
| Compound Name: | (4-methylpiperazin-1-yl)[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C24 H26 N6 O3 S |
| Salt: | not_available |
| Smiles: | CN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2CC=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4735 |
| logD: | 2.3428 |
| logSw: | -2.7934 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.425 |
| InChI Key: | NSZPOBQJNVFEAS-UHFFFAOYSA-N |