N-ethyl-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
N-ethyl-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-methylphenyl)acetamide
N-ethyl-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | J079-1028 |
| Compound Name: | N-ethyl-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CCN(C(CN1CCN(CC1)CC1=CC(=O)Oc2cc(C)ccc12)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3066 |
| logD: | 3.2942 |
| logSw: | -3.6468 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.01 |
| InChI Key: | BGGHOYYLAXIPKT-UHFFFAOYSA-N |