N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[2-(3-methylphenyl)ethyl]glycinamide
Chemical Structure Depiction of
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[2-(3-methylphenyl)ethyl]glycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[2-(3-methylphenyl)ethyl]glycinamide
Compound characteristics
| Compound ID: | K906-3879 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[2-(3-methylphenyl)ethyl]glycinamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C20 H22 Cl N3 O5 S |
| Smiles: | Cc1cccc(CCNC(CN(C)S(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8615 |
| logD: | 1.8029 |
| logSw: | -3.0228 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.386 |
| InChI Key: | MGOFHKCGJKZXMP-UHFFFAOYSA-N |