N-[3-(morpholin-4-yl)propyl]-1-{4-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[3-(morpholin-4-yl)propyl]-1-{4-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-[3-(morpholin-4-yl)propyl]-1-{4-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0316 |
| Compound Name: | N-[3-(morpholin-4-yl)propyl]-1-{4-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.68 |
| Molecular Formula: | C27 H35 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCc2cc(ccc2C1)S(Nc1ccc(cc1)C1(CC1)C(NCCCN1CCOCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3299 |
| logD: | 2.9064 |
| logSw: | -3.7459 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.206 |
| InChI Key: | PPHUJLRROKYEBL-UHFFFAOYSA-N |