N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K280-0211 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 544.59 |
| Molecular Formula: | C27 H24 N6 O5 S |
| Smiles: | COc1ccc(CCNC(CSc2nc3ccccc3c3nc(c4cccc(c4)[N+]([O-])=O)nn23)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0534 |
| logD: | 4.0529 |
| logSw: | -4.2205 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.752 |
| InChI Key: | DKACJTXPAYZTMY-UHFFFAOYSA-N |