N-(2-methoxyphenyl)-8-methyl-6-{3-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-8-methyl-6-{3-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
N-(2-methoxyphenyl)-8-methyl-6-{3-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
Compound characteristics
| Compound ID: | V016-5535 |
| Compound Name: | N-(2-methoxyphenyl)-8-methyl-6-{3-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide |
| Molecular Weight: | 583.67 |
| Molecular Formula: | C31 H29 N5 O5 S |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2cccc(c2)NC(/C=C/c2ccc(cc2)[N+]([O-])=O)=O)N2CCCSC2=N1)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.626 |
| logD: | 5.5636 |
| logSw: | -5.3771 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.452 |
| InChI Key: | BCRNMNYOSJDMHN-GDLZYMKVSA-N |