ethyl 4-{[1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino}benzoate
ethyl 4-{[1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D396-0132 |
| Compound Name: | ethyl 4-{[1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino}benzoate |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1c(c2c3CCCCc3c(nc2s1)N1CCCC1)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8877 |
| logD: | 5.8877 |
| logSw: | -5.6508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.862 |
| InChI Key: | IPBUSZSCBVOEBZ-UHFFFAOYSA-N |