N-(2H-1,3-benzodioxol-5-yl)-5-(1-{[(3-methoxyphenyl)methyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-(1-{[(3-methoxyphenyl)methyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-(1-{[(3-methoxyphenyl)methyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F793-1237 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-(1-{[(3-methoxyphenyl)methyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | COc1cccc(CNC(N2CCCC2c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8495 |
| logD: | 2.8487 |
| logSw: | -3.4432 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.073 |
| InChI Key: | BEVHTSJSVSMEKC-UHFFFAOYSA-N |