N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[2-(4-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-(4-methylphenyl)ethyl]glycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[2-(4-methylphenyl)ethyl]glycinamide
Compound characteristics
| Compound ID: | K906-3890 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N~2~-methyl-N-[2-(4-methylphenyl)ethyl]glycinamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C20 H22 Cl N3 O5 S |
| Smiles: | Cc1ccc(CCNC(CN(C)S(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6942 |
| logD: | 1.6356 |
| logSw: | -3.0155 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.386 |
| InChI Key: | QVOZHEYRRUGDEV-UHFFFAOYSA-N |