methyl 4-{[5-(2-{4-[(cyclopropanecarbonyl)amino]-3-methyl-1,2-oxazol-5-yl}ethenyl)thiophene-2-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-(2-{4-[(cyclopropanecarbonyl)amino]-3-methyl-1,2-oxazol-5-yl}ethenyl)thiophene-2-sulfonyl]amino}benzoate
methyl 4-{[5-(2-{4-[(cyclopropanecarbonyl)amino]-3-methyl-1,2-oxazol-5-yl}ethenyl)thiophene-2-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | M331-0841 |
| Compound Name: | methyl 4-{[5-(2-{4-[(cyclopropanecarbonyl)amino]-3-methyl-1,2-oxazol-5-yl}ethenyl)thiophene-2-sulfonyl]amino}benzoate |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C22 H21 N3 O6 S2 |
| Smiles: | Cc1c(c(/C=C/c2ccc(s2)S(Nc2ccc(cc2)C(=O)OC)(=O)=O)on1)NC(C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8405 |
| logD: | 3.727 |
| logSw: | -4.0984 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.814 |
| InChI Key: | OLIDDXXAEBRMBR-UHFFFAOYSA-N |