N-[3-(butylsulfanyl)propyl]-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[3-(butylsulfanyl)propyl]-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-6812 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 535.11 |
| Molecular Formula: | C30 H31 Cl N2 O3 S |
| Smiles: | CCCCSCCCNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5721 |
| logD: | 6.5721 |
| logSw: | -6.3371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.559 |
| InChI Key: | OARUGJITKGHDJK-UHFFFAOYSA-N |