N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

HCID 9852318
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)CO)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1
InChIKey
YAWNVAQKVARTGQ-UHFFFAOYSA-N
분자식
C27H28BrN5O5S
평균 분자량
614.5 g/mol

이름 및 식별자

우선 이름
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
IUPAC
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

이름 및 동의어

t-0201169679-53-2CHEMBL112624N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamideSCHEMBL892538orb1695125YAWNVAQKVARTGQ-UHFFFAOYSA-NBDBM50105051AKOS040754124T-0201, T0201, T 0201, TA 0201, TA0201, TA-0201N-(6-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)-5-(p-tolyl)pyrimidin-4-yl)-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamideT34762
이름 더 보기
N-[6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-5-(4-methylphenyl)-4-pyrimidinyl]-4-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamideN-[6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxyl}-5-(4-methylphenyl)-4-pyrimidinyl]-4-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamideN-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-4-(2-hydroxy-1,1-dimethyl-ethyl)-benzenesulfonamide

데이터베이스 식별자

PubChem CID
9852318
ChEMBL
CHEMBL112624
Nikkaji
J1.000.985E

물성

구조 계산 물성

XLogP
4.8
극성 표면적
145 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
11
무거운 원자 수
39

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