propan-2-yl 2-[3-(1H-benzotriazol-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[3-(1H-benzotriazol-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-[3-(1H-benzotriazol-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-0256 |
| Compound Name: | propan-2-yl 2-[3-(1H-benzotriazol-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(CCn1c2ccccc2nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.878 |
| logD: | 1.3473 |
| logSw: | -4.2056 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.94 |
| InChI Key: | KSYVSHKTGBOOGI-UHFFFAOYSA-N |