2-bromo-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-5-(propan-2-yl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-bromo-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-5-(propan-2-yl)-1,3-thiazole-4-carboxamide
2-bromo-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-5-(propan-2-yl)-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5933 |
| Compound Name: | 2-bromo-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-5-(propan-2-yl)-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 453.4 |
| Molecular Formula: | C20 H25 Br N2 O3 S |
| Smiles: | CC(C)c1c(C(NCC2(CCOCC2)c2ccc(cc2)OC)=O)nc(s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8921 |
| logD: | 4.892 |
| logSw: | -4.5272 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.151 |
| InChI Key: | KSVCVFYMZKTCNM-UHFFFAOYSA-N |