2-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl 3-(4-methoxyphenyl)prop-2-enoate
Chemical Structure Depiction of
2-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl 3-(4-methoxyphenyl)prop-2-enoate
2-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl 3-(4-methoxyphenyl)prop-2-enoate
Compound characteristics
| Compound ID: | 6313-0030 |
| Compound Name: | 2-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl 3-(4-methoxyphenyl)prop-2-enoate |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C31 H26 N2 O5 S |
| Smiles: | Cc1ccc(cc1)N(Cc1ccccc1OC(/C=C/c1ccc(cc1)OC)=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2301 |
| logD: | 6.2301 |
| logSw: | -5.5838 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.246 |
| InChI Key: | IBFCMCQRTOSUGD-UHFFFAOYSA-N |