N-butyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-butyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-butyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0251 |
| Compound Name: | N-butyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C21 H27 N3 O2 S |
| Smiles: | CCCCNC(c1ccc2C(N(CCC3CCCCC=3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2436 |
| logD: | 4.2403 |
| logSw: | -4.1093 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.015 |
| InChI Key: | XJADEJOKXCZUMN-UHFFFAOYSA-N |