N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J031-1510 |
| Compound Name: | N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 375.44 |
| Molecular Formula: | C18 H21 N3 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCCO2)NC(CSC1NC(C=C(C)N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0491 |
| logD: | 0.3272 |
| logSw: | -2.3035 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.089 |
| InChI Key: | ZTISHLBHXQDIOV-LBPRGKRZSA-N |