methyl 2-{[1-(4-chlorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(4-chlorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
methyl 2-{[1-(4-chlorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J042-0452 |
| Compound Name: | methyl 2-{[1-(4-chlorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C25 H21 Cl N2 O4 |
| Smiles: | COC(c1ccccc1NC(c1ccc2c(CCCN2C(c2ccc(cc2)[Cl])=O)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8625 |
| logD: | 3.9689 |
| logSw: | -4.7646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.118 |
| InChI Key: | BPYKMXLSBNRPAU-UHFFFAOYSA-N |