N-(2H-1,3-benzodioxol-5-yl)-N'-[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
N-(2H-1,3-benzodioxol-5-yl)-N'-[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Compound characteristics
| Compound ID: | F129-0409 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]urea |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | C1CCC(C1)NC1=C(C(=O)Oc2ccccc12)NC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8736 |
| logD: | 3.8711 |
| logSw: | -4.1674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.302 |
| InChI Key: | DTLVGIOSXZSWSK-UHFFFAOYSA-N |