N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0096 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | C1CCC(CCNC(CCCn2c3ccc(cc3nn2)S(N2CCCC2)(=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.737 |
| logD: | 1.737 |
| logSw: | -2.5679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.225 |
| InChI Key: | QJQOPWHKUXWXII-UHFFFAOYSA-N |