N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G595-0321 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(C1=CN=C2N(C3CCCCC=3S2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6891 |
| logD: | 1.6876 |
| logSw: | -2.4941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.023 |
| InChI Key: | NJEPNAHQJLMZDF-LBPRGKRZSA-N |