N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-3288 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]butanamide |
| Molecular Weight: | 564.66 |
| Molecular Formula: | C28 H32 N6 O5 S |
| Smiles: | Cc1cc(NC(CSC2=Nc3ccccc3C(N2CCCC(NCCc2ccc(c(c2)OC)OC)=O)=O)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.3191 |
| logD: | 1.3172 |
| logSw: | -2.5022 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.607 |
| InChI Key: | DGFCFBNMUMHPNR-UHFFFAOYSA-N |