methyl 3-{[7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 3-{[7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino}benzoate--hydrogen chloride (1/1)
methyl 3-{[7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L968-0578 |
| Compound Name: | methyl 3-{[7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 458.97 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c(cnc2n1)C(N1CCSCC1)=O)Nc1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.38 |
| logD: | 3.3792 |
| logSw: | -3.5155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.178 |
| InChI Key: | AFPCMMJOEWAXKM-UHFFFAOYSA-N |