5-chloro-2-(methanesulfonyl)-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(methanesulfonyl)-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyrimidine-4-carboxamide
5-chloro-2-(methanesulfonyl)-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0249 |
| Compound Name: | 5-chloro-2-(methanesulfonyl)-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyrimidine-4-carboxamide |
| Molecular Weight: | 486.99 |
| Molecular Formula: | C19 H23 Cl N4 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1c(C(NCCCOC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 1.9224 |
| logD: | -2.4981 |
| logSw: | -3.0491 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.075 |
| InChI Key: | JNTCWIVLCARRHU-UHFFFAOYSA-N |