methyl 3-{2-[(cyclopropylmethyl)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-[(cyclopropylmethyl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-{2-[(cyclopropylmethyl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-9998 |
| Compound Name: | methyl 3-{2-[(cyclopropylmethyl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)N2C(CC(NCC3CC3)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.704 |
| logD: | 2.7034 |
| logSw: | -3.0793 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.935 |
| InChI Key: | KVIPLKNZFFKCIK-LJQANCHMSA-N |