6-[(2-chloro-4-methylphenoxy)acetyl]-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[(2-chloro-4-methylphenoxy)acetyl]-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
6-[(2-chloro-4-methylphenoxy)acetyl]-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | V018-9592 |
Compound Name: | 6-[(2-chloro-4-methylphenoxy)acetyl]-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 499.99 |
Molecular Formula: | C26 H30 Cl N3 O5 |
Smiles: | Cc1ccc(c(c1)[Cl])OCC(c1ccc2c(c1)N(CCCC(N1CCN(C)CC1)=O)C(CO2)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9883 |
logD: | 1.7413 |
logSw: | -2.9268 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 64.477 |
InChI Key: | ZJBZBAQXOORHKR-UHFFFAOYSA-N |