4-({4-chloro-N-[(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanyl}amino)butanoic acid
Chemical Structure Depiction of
4-({4-chloro-N-[(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanyl}amino)butanoic acid
4-({4-chloro-N-[(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanyl}amino)butanoic acid
Compound characteristics
| Compound ID: | IB09-2482 |
| Compound Name: | 4-({4-chloro-N-[(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanyl}amino)butanoic acid |
| Molecular Weight: | 549.41 |
| Molecular Formula: | C26 H26 Cl2 N2 O7 |
| Smiles: | CC1=C(CC(NC(Cc2ccc(cc2)[Cl])C(NCCCC(O)=O)=O)=O)C(=O)Oc2cc(c(cc12)[Cl])OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.19 |
| logD: | 0.37 |
| logSw: | -4.01 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 181.33 |
| InChI Key: | SKPTXJVBNYZGEL-FQEVSTJZSA-N |