4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[3-(morpholin-4-yl)propyl]butanamide
Chemical Structure Depiction of
4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[3-(morpholin-4-yl)propyl]butanamide
4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[3-(morpholin-4-yl)propyl]butanamide
Compound characteristics
| Compound ID: | K284-3926 |
| Compound Name: | 4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[3-(morpholin-4-yl)propyl]butanamide |
| Molecular Weight: | 555.74 |
| Molecular Formula: | C29 H41 N5 O4 S |
| Smiles: | C1CCC(CCNC(CSC2=Nc3ccccc3C(N2CCCC(NCCCN2CCOCC2)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.9181 |
| logD: | 0.4946 |
| logSw: | -2.2738 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.459 |
| InChI Key: | FBFAZXCSPWGSCU-UHFFFAOYSA-N |