6-chloro-7-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0201 |
| Compound Name: | 6-chloro-7-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 478.95 |
| Molecular Formula: | C21 H23 Cl N4 O5 S |
| Smiles: | CN(C)c1cccc(c1)C(N1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6861 |
| logD: | 1.6275 |
| logSw: | -3.083 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.48 |
| InChI Key: | UBXVXORNYWWQNY-UHFFFAOYSA-N |