N-[2-(butylamino)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-[2-(butylamino)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-[2-(butylamino)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0485 |
| Compound Name: | N-[2-(butylamino)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 442.9 |
| Molecular Formula: | C22 H23 Cl N4 O4 |
| Smiles: | CCCCNC(CNC(C1c2ccccc2C(N(c2ccc(c(c2)[Cl])OC)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1467 |
| logD: | 3.1467 |
| logSw: | -3.5982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.676 |
| InChI Key: | HNFSSDGRVJDFAV-UHFFFAOYSA-N |