6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0123 |
| Compound Name: | 6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8358 |
| logD: | 1.8356 |
| logSw: | -2.6832 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.565 |
| InChI Key: | KJCBPNRLSVULIY-UHFFFAOYSA-N |