N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-(morpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-(morpholine-4-sulfonyl)benzamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-(morpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 8006-2813 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-(morpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Smiles: | COc1ccc(cc1S(N1CCOCC1)(=O)=O)C(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7655 |
| logD: | -0.194 |
| logSw: | -3.5042 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.351 |
| InChI Key: | MYSQRUWVJQRSTK-UHFFFAOYSA-N |