1-{4-[(2,4-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(morpholin-4-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2,4-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(morpholin-4-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2,4-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(morpholin-4-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0317 |
| Compound Name: | 1-{4-[(2,4-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(morpholin-4-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.64 |
| Molecular Formula: | C25 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(c(C)c1)S(Nc1ccc(cc1)C1(CC1)C(NCCCN1CCOCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9643 |
| logD: | 2.5408 |
| logSw: | -3.2907 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.285 |
| InChI Key: | MLJLYJBDQOOUIC-UHFFFAOYSA-N |