N-[(4Z)-2-{[4-(naphthalen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydroxylamine
Chemical Structure Depiction of
N-[(4Z)-2-{[4-(naphthalen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydroxylamine
N-[(4Z)-2-{[4-(naphthalen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydroxylamine
Compound characteristics
| Compound ID: | 8012-7658 |
| Compound Name: | N-[(4Z)-2-{[4-(naphthalen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydroxylamine |
| Molecular Weight: | 447.43 |
| Molecular Formula: | C21 H16 F3 N3 O3 S |
| Smiles: | C1C(C2COC(C/1=N/O)O2)Sc1nc(cc(C(F)(F)F)n1)c1ccc2ccccc2c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0319 |
| logD: | 5.0299 |
| logSw: | -5.5491 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.726 |
| InChI Key: | CRCGPAKBIIZFSD-DICXZTSXSA-N |