N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzamide
Chemical Structure Depiction of
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzamide
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzamide
Compound characteristics
| Compound ID: | K248-0186 |
| Compound Name: | N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzamide |
| Molecular Weight: | 516.68 |
| Molecular Formula: | C25 H32 N4 O4 S2 |
| Smiles: | C1CCC(C1)N(CCCNC(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)Cc1ccco1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6141 |
| logD: | 1.3103 |
| logSw: | -3.1537 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.538 |
| InChI Key: | FVRNZDWBEPEVJR-UHFFFAOYSA-N |