N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J031-1330 |
| Compound Name: | N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCCO2)NC(CSC1NC(C=C(c2ccccc2)N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3967 |
| logD: | 1.9475 |
| logSw: | -3.018 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.318 |
| InChI Key: | UVGNSWHASZJEFF-HNNXBMFYSA-N |