methyl 4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]amino}benzoate
methyl 4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | L995-0205 |
| Compound Name: | methyl 4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonyl]amino}benzoate |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C20 H19 N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NS(c1ccc2c(c1)c(C(N1CCCC1)=O)no2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9577 |
| logD: | 2.5214 |
| logSw: | -3.5844 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.275 |
| InChI Key: | GHANCQFFYJURLX-UHFFFAOYSA-N |