4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-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}benzamide
Chemical Structure Depiction of
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-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}benzamide
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-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}benzamide
Compound characteristics
| Compound ID: | K248-0125 |
| Compound Name: | 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-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}benzamide |
| Molecular Weight: | 510.03 |
| Molecular Formula: | C22 H24 Cl N3 O5 S2 |
| Smiles: | COc1ccc(CCNC(c2ccc(c(c2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)[Cl])=O)cc1OC |
| Stereo: | RELATIVE |
| logP: | 2.3239 |
| logD: | 2.3239 |
| logSw: | -3.4833 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.159 |
| InChI Key: | HBJCMRRJSNHUOJ-UHFFFAOYSA-N |