N-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}-N'-(3,4,5-trimethoxyphenyl)urea
Chemical Structure Depiction of
N-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}-N'-(3,4,5-trimethoxyphenyl)urea
N-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}-N'-(3,4,5-trimethoxyphenyl)urea
Compound characteristics
| Compound ID: | G373-2849 |
| Compound Name: | N-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}-N'-(3,4,5-trimethoxyphenyl)urea |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C22 H28 N6 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5097 |
| logD: | 1.5096 |
| logSw: | -2.5356 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.436 |
| InChI Key: | NSWODPXMKULFRQ-UHFFFAOYSA-N |