4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Chemical Structure Depiction of
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | C700-0324 |
| Compound Name: | 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C30 H31 N3 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCN3CCCC3)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.973 |
| logD: | 3.5648 |
| logSw: | -4.5602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.636 |
| InChI Key: | GIWXQWGJOIWGKQ-UHFFFAOYSA-N |