N-(3,3-diethoxypropyl)-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-(3,3-diethoxypropyl)-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-(3,3-diethoxypropyl)-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: | K248-0081 |
Compound Name: | N-(3,3-diethoxypropyl)-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: | 441.57 |
Molecular Formula: | C19 H27 N3 O5 S2 |
Smiles: | CCOC(CCNC(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)OCC |
Stereo: | RELATIVE |
logP: | 1.1082 |
logD: | 1.1081 |
logSw: | -2.2364 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.522 |
InChI Key: | BFNNSXRDKRVFDU-UHFFFAOYSA-N |