N-{[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}aniline
Chemical Structure Depiction of
N-{[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}aniline
N-{[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}aniline
Compound characteristics
| Compound ID: | Y500-1308 |
| Compound Name: | N-{[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}aniline |
| Molecular Weight: | 415.35 |
| Molecular Formula: | C19 H19 Br N4 S |
| Smiles: | C=CCn1c(CNc2ccccc2)nnc1SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5813 |
| logD: | 4.5813 |
| logSw: | -4.527 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.701 |
| InChI Key: | BUTVGCNFIRJNPM-UHFFFAOYSA-N |