6-chloro-2-ethyl-4-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine
Chemical Structure Depiction of
6-chloro-2-ethyl-4-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine
6-chloro-2-ethyl-4-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine
Compound characteristics
| Compound ID: | F318-0305 |
| Compound Name: | 6-chloro-2-ethyl-4-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C18 H18 Cl N3 O4 S2 |
| Smiles: | CCC1CN(c2cc(ccc2O1)[Cl])S(c1cc(c2nc(C)on2)sc1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4363 |
| logD: | 4.4363 |
| logSw: | -4.5709 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.557 |
| InChI Key: | PVDBKPUNOOYDBA-CYBMUJFWSA-N |