2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-N-(2,6-diisopropyl-3-hydroxyphenyl)acetamide

HCID 22272616

기본 정보

표준 SMILES
CC(C)c1ccc(O)c(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1
InChIKey
ONUCLKHANLORKC-UHFFFAOYSA-N
분자식
C27H36N4O3S
평균 분자량
496.7 g/mol
단동위원소 질량
496.2508122

이름 및 식별자

우선 이름
2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-N-(2,6-diisopropyl-3-hydroxyphenyl)acetamide
IUPAC
2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[3-hydroxy-2,6-di(propan-2-yl)phenyl]acetamide

이름 및 동의어

SCHEMBL6279251ONUCLKHANLORKC-UHFFFAOYSA-N2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-n(2,6-diisopropyl-3-hydroxyphenyl)acetamide2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-N-(2,6-d iisopropyl-3-hydroxyphenyl)acetamide2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-N-(2,6-diisopropyl-3-hydroxyphenyl) acetamide2-[4-[2-(benzoxazol-2-ylthio)ethyl]piperazin-1-yl]-N-(2,6-diisopropyl-3-hydroxyphenyl)acetamide2-[4-[2-(benzoxazol-2ylthio)ethyl]piperazin-1-yl]-N-(2,6-diisopropyl-3-hydroxyphenyl)acetamide2-[4-[2-(benzoxazol-2ylthio)ethyl]piperazin-1-yl]-N-(2,6-diisopropyl-3hydroxyphenyl)acetamide

데이터베이스 식별자

PubChem CID
22272616

물성

구조 계산 물성

XLogP
5.3
극성 표면적
107 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
9
무거운 원자 수
35

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9건

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