methyl 3-({4-[(cyclohexylmethyl)amino]-2-oxo-2H-1-benzopyran-3-yl}amino)-3-oxopropanoate
Chemical Structure Depiction of
methyl 3-({4-[(cyclohexylmethyl)amino]-2-oxo-2H-1-benzopyran-3-yl}amino)-3-oxopropanoate
methyl 3-({4-[(cyclohexylmethyl)amino]-2-oxo-2H-1-benzopyran-3-yl}amino)-3-oxopropanoate
Compound characteristics
| Compound ID: | G411-0286 |
| Compound Name: | methyl 3-({4-[(cyclohexylmethyl)amino]-2-oxo-2H-1-benzopyran-3-yl}amino)-3-oxopropanoate |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C20 H24 N2 O5 |
| Smiles: | COC(CC(NC1=C(c2ccccc2OC1=O)NCC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3944 |
| logD: | 2.336 |
| logSw: | -3.0577 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.713 |
| InChI Key: | LQUBQSKZNWAAOS-UHFFFAOYSA-N |