N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | F441-0092 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C19 H21 N3 O3 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(NCCC1CCCCC=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7984 |
| logD: | 2.7971 |
| logSw: | -3.4487 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.476 |
| InChI Key: | DEPFQFXAHOVIEZ-UHFFFAOYSA-N |