methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K289-0415 |
| Compound Name: | methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C28 H31 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2cc(ccc2C(N1CCC1CCCCC=1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1811 |
| logD: | 5.1811 |
| logSw: | -4.9328 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.388 |
| InChI Key: | SGUSKAVUOZTHPM-UHFFFAOYSA-N |