N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}thiophene-2-carboxamide
N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V012-6077 |
| Compound Name: | N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}thiophene-2-carboxamide |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C22 H21 Cl N4 O2 S |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1cccs1)=O)C(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4305 |
| logD: | 4.4301 |
| logSw: | -4.4622 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.189 |
| InChI Key: | KLOYELAWMNDSCI-UHFFFAOYSA-N |