6,8-di-tert-butyl-3-(pyrrolidine-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6,8-di-tert-butyl-3-(pyrrolidine-1-sulfonyl)-2H-1-benzopyran-2-one
6,8-di-tert-butyl-3-(pyrrolidine-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | F312-0012 |
| Compound Name: | 6,8-di-tert-butyl-3-(pyrrolidine-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 391.53 |
| Molecular Formula: | C21 H29 N O4 S |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)C(C)(C)C)S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2133 |
| logD: | 5.2133 |
| logSw: | -5.0516 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.921 |
| InChI Key: | DAYNHQHQCPYAQM-UHFFFAOYSA-N |