Trifluoromethanesulfonic acid 1-(2-fluoro-4-iodophenyl)-3-(4-methoxybenzyl)-6,8-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl ester (HCID 59717176)

기본 정보

표준 SMILES: COc1ccc(Cn2c(=O)c3c(OS(=O)(=O)C(F)(F)F)c(C)c(=O)n(C)c3n(-c3ccc(I)cc3F)c2=O)cc1
InChIKey: FOJDOOOVNNAIPK-UHFFFAOYSA-N
분자식: C24H18F4IN3O7S
평균 분자량: 695.4 g/mol

이름 및 식별자

우선 이름: Trifluoromethanesulfonic acid 1-(2-fluoro-4-iodophenyl)-3-(4-methoxybenzyl)-6,8-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl ester
IUPAC: [1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate

이름 및 동의어

871700-56-01-(2-Fluoro-4-iodophenyl)-3-(4-methoxybenzyl)-6,8-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl trifluoromethanesulfonatetrifluoromethanesulfonic acid 1-(2-fluoro-4-iodophenyl)-3-(4-methoxybenzyl)-6,8-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl esterSCHEMBL1419279

데이터베이스 식별자

PubChem CID: 59717176

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 122 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 11
회전 가능 결합 수: 6
무거운 원자 수: 40
형식 전하: 0
복잡도: 1,240

화합물 노트

불러오는 중…