methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K289-0363 |
| Compound Name: | methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C28 H31 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CCC3CCCCC=3)C(=Nc2c1)SCC(NCCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2682 |
| logD: | 4.2682 |
| logSw: | -4.2849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.428 |
| InChI Key: | MRQAQSLUJJLSKX-UHFFFAOYSA-N |