ethyl 3-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]amino}benzoate
ethyl 3-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | L995-0051 |
| Compound Name: | ethyl 3-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]amino}benzoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | CCOC(c1cccc(c1)NS(c1ccc2c(c1)c(C(N1CCCC1)=O)no2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6158 |
| logD: | 3.5618 |
| logSw: | -3.7796 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.855 |
| InChI Key: | AWSBCIUSNVLKJY-UHFFFAOYSA-N |