3-(3-chloro-4-methylbenzene-1-sulfonyl)-N-cyclopentyl-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine
Chemical Structure Depiction of
3-(3-chloro-4-methylbenzene-1-sulfonyl)-N-cyclopentyl-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine
3-(3-chloro-4-methylbenzene-1-sulfonyl)-N-cyclopentyl-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine
Compound characteristics
| Compound ID: | CM4115-0696 |
| Compound Name: | 3-(3-chloro-4-methylbenzene-1-sulfonyl)-N-cyclopentyl-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine |
| Molecular Weight: | 439.02 |
| Molecular Formula: | C21 H31 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])S(N1CCC2(CC1)C(NC1CCCC1)=NCCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9964 |
| logD: | 1.0775 |
| logSw: | -4.3529 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.788 |
| InChI Key: | VINLTRUIKHWANM-UHFFFAOYSA-N |