2-methyl-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide
Chemical Structure Depiction of
2-methyl-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide
2-methyl-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide
Compound characteristics
| Compound ID: | G072-1977 |
| Compound Name: | 2-methyl-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C21 H23 N5 O2 S3 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3nc4ccc(cc4s3)NC(C(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.1066 |
| logD: | 5.1053 |
| logSw: | -4.9683 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.618 |
| InChI Key: | UBRYOJWQDNYWAX-UHFFFAOYSA-N |