N,N-diethyl-8-methyl-6-[3-(2-phenylbutanamido)phenyl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
Chemical Structure Depiction of
N,N-diethyl-8-methyl-6-[3-(2-phenylbutanamido)phenyl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
N,N-diethyl-8-methyl-6-[3-(2-phenylbutanamido)phenyl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
Compound characteristics
| Compound ID: | V026-9130 |
| Compound Name: | N,N-diethyl-8-methyl-6-[3-(2-phenylbutanamido)phenyl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide |
| Molecular Weight: | 504.69 |
| Molecular Formula: | C29 H36 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C(Nc1cccc(c1)C1C(=C(C)N=C2N1CCCS2)C(N(CC)CC)=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9354 |
| logD: | 4.9218 |
| logSw: | -4.5982 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.192 |
| InChI Key: | AVJLKLQQCVQKGN-UHFFFAOYSA-N |