butyl 4-{[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
butyl 4-{[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino}benzoate--hydrogen chloride (1/1)
butyl 4-{[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L968-0351 |
| Compound Name: | butyl 4-{[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 497.04 |
| Molecular Formula: | C27 H32 N4 O3 |
| Salt: | HCl |
| Smiles: | CCCCOC(c1ccc(cc1)Nc1c(cnc2c1ccc(C)n2)C(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7659 |
| logD: | 5.7651 |
| logSw: | -5.5247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.383 |
| InChI Key: | IFQPCPTUULSGDA-UHFFFAOYSA-N |