ethyl 4-{2-[(2,2-dimethyl-1,2-dihydroquinazolin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(2,2-dimethyl-1,2-dihydroquinazolin-4-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(2,2-dimethyl-1,2-dihydroquinazolin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | E971-0204 |
| Compound Name: | ethyl 4-{2-[(2,2-dimethyl-1,2-dihydroquinazolin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1c2ccccc2NC(C)(C)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2027 |
| logD: | 4.2025 |
| logSw: | -4.1299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.429 |
| InChI Key: | YPKWZEGPOPUXLH-UHFFFAOYSA-N |