4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K788-6830 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 530.02 |
| Molecular Formula: | C30 H28 Cl N3 O4 |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.93 |
| logD: | 3.93 |
| logSw: | -4.8061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.8 |
| InChI Key: | WSDQWKAJHWJSCB-UHFFFAOYSA-N |