methyl 4-[(6-chloro-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl)amino]butanoate
Chemical Structure Depiction of
methyl 4-[(6-chloro-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl)amino]butanoate
methyl 4-[(6-chloro-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl)amino]butanoate
Compound characteristics
| Compound ID: | Y044-5670 |
| Compound Name: | methyl 4-[(6-chloro-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl)amino]butanoate |
| Molecular Weight: | 349.82 |
| Molecular Formula: | C17 H20 Cl N3 O3 |
| Smiles: | COC(CCCNC(N1CCc2c3cc(ccc3[nH]c2C1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2392 |
| logD: | 2.2392 |
| logSw: | -3.4046 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.233 |
| InChI Key: | BGOWVSDYTGYZOF-UHFFFAOYSA-N |