2-[5-(azepan-1-yl)-2-nitrophenyl]-4-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
2-[5-(azepan-1-yl)-2-nitrophenyl]-4-methylphthalazin-1(2H)-one
2-[5-(azepan-1-yl)-2-nitrophenyl]-4-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8015-2498 |
| Compound Name: | 2-[5-(azepan-1-yl)-2-nitrophenyl]-4-methylphthalazin-1(2H)-one |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CC1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCCCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1673 |
| logD: | 4.1672 |
| logSw: | -4.2794 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.784 |
| InChI Key: | CQUVPBUCERJYIO-UHFFFAOYSA-N |