4-chloro-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-pentylbenzamide
Chemical Structure Depiction of
4-chloro-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-pentylbenzamide
4-chloro-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-pentylbenzamide
Compound characteristics
| Compound ID: | K248-0110 |
| Compound Name: | 4-chloro-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-pentylbenzamide |
| Molecular Weight: | 415.96 |
| Molecular Formula: | C17 H22 Cl N3 O3 S2 |
| Smiles: | CCCCCNC(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1148 |
| logD: | 3.1148 |
| logSw: | -3.6642 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.17 |
| InChI Key: | GKXGNUUVPFUHRJ-UHFFFAOYSA-N |