methyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-9975 |
| Compound Name: | methyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CCC(C)NC(CC1=CSC2=NC(C)=C(C(c3cccc(c3)[N+]([O-])=O)N12)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0112 |
| logD: | 3.0106 |
| logSw: | -3.3487 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.125 |
| InChI Key: | BBKFFGRMKCMOQT-UHFFFAOYSA-N |