methyl 3-{[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
methyl 3-{[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F129-0418 |
| Compound Name: | methyl 3-{[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}thiophene-2-carboxylate |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | COC(c1c(ccs1)NC(NC1=C(c2ccccc2OC1=O)NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4598 |
| logD: | 3.449 |
| logSw: | -3.9929 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.681 |
| InChI Key: | OMUJHEYQFLAWDX-UHFFFAOYSA-N |