4-methyl-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-methyl-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one
4-methyl-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one
Compound characteristics
Compound ID: | 8003-0262 |
Compound Name: | 4-methyl-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one |
Molecular Weight: | 379.42 |
Molecular Formula: | C20 H21 N5 O3 |
Smiles: | CC1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCN(C)CC2)N=1)=O |
Stereo: | ACHIRAL |
logP: | 2.4894 |
logD: | 1.9213 |
logSw: | -2.9865 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 64.93 |
InChI Key: | UAESUNQZPPNXEG-UHFFFAOYSA-N |