ethyl 3-{[4-(2-{4-[(cyclopropanecarbonyl)amino]-3-methyl-1,2-oxazol-5-yl}ethenyl)benzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[4-(2-{4-[(cyclopropanecarbonyl)amino]-3-methyl-1,2-oxazol-5-yl}ethenyl)benzene-1-sulfonyl]amino}benzoate
ethyl 3-{[4-(2-{4-[(cyclopropanecarbonyl)amino]-3-methyl-1,2-oxazol-5-yl}ethenyl)benzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | M026-1323 |
| Compound Name: | ethyl 3-{[4-(2-{4-[(cyclopropanecarbonyl)amino]-3-methyl-1,2-oxazol-5-yl}ethenyl)benzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 495.55 |
| Molecular Formula: | C25 H25 N3 O6 S |
| Smiles: | CCOC(c1cccc(c1)NS(c1ccc(\C=C/c2c(c(C)no2)NC(C2CC2)=O)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5255 |
| logD: | 4.4664 |
| logSw: | -4.2913 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.376 |
| InChI Key: | NIZKLLBZOCKULC-UHFFFAOYSA-N |