N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0691 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C21 H18 Cl F N4 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccccc1F)[Cl])=O)c1c(C(N)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0817 |
| logD: | 1.3052 |
| logSw: | -4.773 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.417 |
| InChI Key: | ISGWOVSNJVPZSU-UHFFFAOYSA-N |