1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2288 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 514.09 |
| Molecular Formula: | C25 H32 Cl N7 O S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2C(NCCN2CCN(CC2)c2cccc(c2)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8132 |
| logD: | 4.7628 |
| logSw: | -4.7888 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.702 |
| InChI Key: | HXWYHUOQHGZAFZ-UHFFFAOYSA-N |