4-[3-Oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl)-1-propenyl)-benzoic acid

HCID 54528150

기본 정보

표준 SMILES
CC1(C)CC=C(c2cccs2)c2ccc(C(=O)C=Cc3ccc(C(=O)O)cc3)cc21
InChIKey
YUOUDEXGOMBAIH-UHFFFAOYSA-N
분자식
C26H22O3S
평균 분자량
414.5 g/mol
단동위원소 질량
414.12896573

이름 및 식별자

우선 이름
4-[3-Oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl)-1-propenyl)-benzoic acid
IUPAC
4-[3-(8,8-dimethyl-5-thiophen-2-yl-7H-naphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid

이름 및 동의어

4-[3-oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl)-1-propenyl)-benzoic acid4-[3-oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl)-1-propenyl]-benzoic acidSCHEMBL6293847YUOUDEXGOMBAIH-UHFFFAOYSA-N4-[3-oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl) -1-propenyl]-benzoic acid4-[3-oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl)-1-propenvl]-benzoic acid4-[3-oxo-3-(7,8-dihydro-5-(2-thienyl)-8.8-dimethyl-2-naphthalenyl) - 1-propenyl]-benzoic acid

데이터베이스 식별자

PubChem CID
54528150

물성

구조 계산 물성

XLogP
6.1
극성 표면적
82.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
30

관련 반응

18건

연결된 노트

불러오는 중…