6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0124 |
| Compound Name: | 6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CCN(CC1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3266 |
| logD: | 2.3266 |
| logSw: | -2.9303 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.16 |
| InChI Key: | WACQGWLKLAYQSY-UHFFFAOYSA-N |