5577-11-7
1-[[P-(2-CYCLOHEPTANECARBOXAMIDOETHYL)PHENYL]SULFONYL]-3-(4-METHYLCYCLOHEXYL)-UREA
Name1-[[P-(2-CYCLOHEPTANECARBOXAMIDOETHYL)PHENYL]SULFONYL]-3-(4-METHYLCYCLOHEXYL)-UREA
1Identification
【Name】
1-[[P-(2-CYCLOHEPTANECARBOXAMIDOETHYL)PHENYL]SULFONYL]-3-(4-METHYLCYCLOHEXYL)-UREA
【CAS】
【MDL】
MFCD19443511
【English Synonyms】
【Formula】
C24 H37 N3 O4 S
【MolWeight】
463.639
【Inchi】
InChI=1S/C24H37N3O4S/c1-18-8-12-21(13-9-18)26-24(29)27-32(30,31)22-14-10-19(11-15-22)16-17-25-23(28)20-6-4-2-3-5-7-20/h10-11,14-15,18,20-21H,2-9,12-13,16-17H2,1H3,(H,25,28)(H2,26,27,29)
【InChIKey】
InChIKey=RVFLWQOYIZHFJE-UHFFFAOYSA-N
【SMILES】
CC1CCC(CC1)NC(=O)NS(=O)(=O)c2ccc(cc2)CCNC(=O)C3CCCCCC3
【MOL File】
1-[[P-(2-CYCLOHEPTAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[[P-(2-CYCLOHEPTANECARBOXAMIDOETHYL)PHENYL]SULFONYL]-3-(4-METHYLCYCLOHEXYL)-UREA.cml