methyl 3-{[2-(4-methoxyphenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[2-(4-methoxyphenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl]amino}benzoate
methyl 3-{[2-(4-methoxyphenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F924-0070 |
| Compound Name: | methyl 3-{[2-(4-methoxyphenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl]amino}benzoate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | COC(c1cccc(c1)NC(N1CCC2=C(C1)Sc1nc(c3ccc(cc3)OC)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.316 |
| logD: | 4.316 |
| logSw: | -4.2835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.942 |
| InChI Key: | HDKFWPJSECYJDP-UHFFFAOYSA-N |