2-[7-chloro-3-(3-nitrophenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-[7-chloro-3-(3-nitrophenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]-N-[(pyridin-3-yl)methyl]acetamide
2-[7-chloro-3-(3-nitrophenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V003-9826 |
| Compound Name: | 2-[7-chloro-3-(3-nitrophenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 465.85 |
| Molecular Formula: | C22 H16 Cl N5 O5 |
| Smiles: | C(c1cccnc1)NC(CN1C(N(C(c2ccc(cc12)[Cl])=O)c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0596 |
| logD: | 2.0572 |
| logSw: | -3.3782 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.026 |
| InChI Key: | ZKHBSHGEYYYZEQ-UHFFFAOYSA-N |