ethyl 4-(2-{[4-oxo-3-(4-oxo-4-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}butyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-oxo-3-(4-oxo-4-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}butyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-oxo-3-(4-oxo-4-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}butyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K284-4625 |
| Compound Name: | ethyl 4-(2-{[4-oxo-3-(4-oxo-4-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}butyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 593.7 |
| Molecular Formula: | C30 H35 N5 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CCCC(NCCCN1CCCC1=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3213 |
| logD: | 1.3213 |
| logSw: | -2.4168 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.478 |
| InChI Key: | PZKKPDXVGCPSMW-UHFFFAOYSA-N |