butyl 4-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}benzoate
butyl 4-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D337-1224 |
| Compound Name: | butyl 4-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]amino}benzoate |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C23 H22 N2 O6 |
| Smiles: | [H]N(C(c1cc(c2ccc3c(c2)OCCO3)on1)=O)c1ccc(cc1)C(=O)OCCCC |
| Stereo: | ACHIRAL |
| logP: | 4.3846 |
| logD: | 4.3845 |
| logSw: | -4.2296 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.736 |
| InChI Key: | TVXJXBSRNPNZBY-UHFFFAOYSA-N |