3-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
3-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
3-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-0081 |
| Compound Name: | 3-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 492.41 |
| Molecular Formula: | C20 H18 Br N3 O3 S2 |
| Smiles: | C1COCCN1C(CSc1nc2ccc(cc2s1)NC(c1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0927 |
| logD: | 4.0879 |
| logSw: | -4.1334 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.44 |
| InChI Key: | UMQQPRTVBOBWAB-UHFFFAOYSA-N |