3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | E511-0664 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C15 H15 Cl N4 O5 S3 |
| Smiles: | CCSc1nnc(NC(CCS(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.1716 |
| logD: | 2.1485 |
| logSw: | -3.2423 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.329 |
| InChI Key: | JQPAXOCDTYXZCZ-UHFFFAOYSA-N |