(4-{[(3-bromophenyl)methyl]sulfanyl}-3-nitrophenyl)[4-(pyridin-2-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(4-{[(3-bromophenyl)methyl]sulfanyl}-3-nitrophenyl)[4-(pyridin-2-yl)piperazin-1-yl]methanone
(4-{[(3-bromophenyl)methyl]sulfanyl}-3-nitrophenyl)[4-(pyridin-2-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | K672-0296 |
| Compound Name: | (4-{[(3-bromophenyl)methyl]sulfanyl}-3-nitrophenyl)[4-(pyridin-2-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 513.41 |
| Molecular Formula: | C23 H21 Br N4 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc(c(c1)[N+]([O-])=O)SCc1cccc(c1)[Br])=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.0529 |
| logD: | 5.0441 |
| logSw: | -5.0773 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.467 |
| InChI Key: | OCVSXWFHPXHGPQ-UHFFFAOYSA-N |