6-[(4-chloro-2-methylphenoxy)acetyl]-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[(4-chloro-2-methylphenoxy)acetyl]-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
6-[(4-chloro-2-methylphenoxy)acetyl]-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V015-7133 |
| Compound Name: | 6-[(4-chloro-2-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 |
| Salt: | not_available |
| Smiles: | Cc1cc(ccc1OCC(c1ccc2c(c1)N(CCCC(N1CCN(C)CC1)=O)C(CO2)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7015 |
| logD: | 2.4546 |
| logSw: | -3.3022 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.477 |
| InChI Key: | ZBCUYERLQWFURW-UHFFFAOYSA-N |