6-chloro-2-methyl-7-[4-(3-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-2-methyl-7-[4-(3-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-2-methyl-7-[4-(3-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0464 |
| Compound Name: | 6-chloro-2-methyl-7-[4-(3-methylthiophene-2-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 469.96 |
| Molecular Formula: | C19 H20 Cl N3 O5 S2 |
| Smiles: | CC1C(Nc2cc(c(cc2O1)S(N1CCN(CC1)C(c1c(C)ccs1)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5409 |
| logD: | 2.4716 |
| logSw: | -3.3852 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.032 |
| InChI Key: | QRKNLMZVQJWYSU-GFCCVEGCSA-N |