N-(3-methylbutyl)-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}benzamide
N-(3-methylbutyl)-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | G629-0209 |
| Compound Name: | N-(3-methylbutyl)-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}benzamide |
| Molecular Weight: | 542.7 |
| Molecular Formula: | C31 H34 N4 O3 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(NCCc2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.145 |
| logD: | 4.145 |
| logSw: | -4.2122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.61 |
| InChI Key: | CDXMCLMTDKWBTO-UHFFFAOYSA-N |