6-chloro-7-[4-(5-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[4-(5-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[4-(5-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0259 |
| Compound Name: | 6-chloro-7-[4-(5-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C18 H18 Cl N3 O5 S2 |
| Smiles: | Cc1ccc(C(N2CCN(CC2)S(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.2248 |
| logD: | 2.1662 |
| logSw: | -3.2657 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.694 |
| InChI Key: | DRWRRKBAWJMPTQ-UHFFFAOYSA-N |