N-(3,5-dimethoxyphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
N-(3,5-dimethoxyphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Compound characteristics
| Compound ID: | F514-0031 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C21 H25 N5 O5 S |
| Smiles: | COc1cc(cc(c1)OC)NC(CCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2506 |
| logD: | 2.2501 |
| logSw: | -3.003 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.957 |
| InChI Key: | CALKYOXKFSHQNX-UHFFFAOYSA-N |