4-{[2-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
4-{[2-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4752 |
| Compound Name: | 4-{[2-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 514.69 |
| Molecular Formula: | C27 H38 N4 O4 S |
| Smiles: | CCC(C)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCC1CCCO1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9436 |
| logD: | 2.9436 |
| logSw: | -3.612 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.215 |
| InChI Key: | IXLUCFGSOQCHJF-UHFFFAOYSA-N |