3'-[4-(3-Methyl 4-trifluoromethyl-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-biphenyl-3-sulfonic acid tert-butylamide

HCID 60209444

기본 정보

표준 SMILES
Cc1cc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4cccc(S(=O)(=O)NC(C)(C)C)c4)c3)n2)ccc1C(F)(F)F
InChIKey
KYDCRHLOWMSAKR-UHFFFAOYSA-N
분자식
C29H25F6N3O2S
평균 분자량
593.6 g/mol
단동위원소 질량
593.15716719

이름 및 식별자

우선 이름
3'-[4-(3-Methyl 4-trifluoromethyl-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-biphenyl-3-sulfonic acid tert-butylamide
IUPAC
N-tert-butyl-3-[3-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzenesulfonamide

이름 및 동의어

3'-[4-(3-methyl 4-trifluoromethyl-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-biphenyl-3-sulfonic acid tert-butylamideSCHEMBL35662613'-[4-(3-methyl-4-trifluoromethyl-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-biphenyl-3-sulfonic acid tert-butylamide

데이터베이스 식별자

PubChem CID
60209444

물성

구조 계산 물성

XLogP
7.3
극성 표면적
80.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
11
회전 가능 결합 수
6
무거운 원자 수
41

관련 반응

6건

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