5-[(6-methyl-3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid
Chemical Structure Depiction of
5-[(6-methyl-3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid
5-[(6-methyl-3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y200-0440 |
| Compound Name: | 5-[(6-methyl-3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | CC1CCc2c(C(NCc3cccnc3)=O)c(NC(CCCC(O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5696 |
| logD: | -1.0276 |
| logSw: | -1.755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.418 |
| InChI Key: | AQYQVJCXMYQZSY-CYBMUJFWSA-N |