N-[2-(2-cyano-4-nitroanilino)ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(2-cyano-4-nitroanilino)ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(2-cyano-4-nitroanilino)ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C190-0530 |
| Compound Name: | N-[2-(2-cyano-4-nitroanilino)ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 452.43 |
| Molecular Formula: | C21 H20 N6 O6 |
| Smiles: | COCCN1C(c2ccc(cc2NC1=O)C(NCCNc1ccc(cc1C#N)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4552 |
| logD: | 1.4532 |
| logSw: | -2.4108 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 133.415 |
| InChI Key: | HZHUDMWLMSIHSM-UHFFFAOYSA-N |