N-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
N-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | V013-5023 |
| Compound Name: | N-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C20 H16 F N3 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccccc12)C(c1csc(NC(c2ccccc2F)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9405 |
| logD: | 3.6153 |
| logSw: | -4.0852 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.686 |
| InChI Key: | MQCVBIYPSYJDJE-UHFFFAOYSA-N |