4-([(5,5-Dimethyl-5,6-dihydro-8-(2-thienyl)-naphthalen-2-yl)carbonyl]oxy]-benzoic acid

HCID 9953061

기본 정보

표준 SMILES
CC1(C)CC=C(c2cccs2)c2cc(C(=O)Oc3ccc(C(=O)O)cc3)ccc21
InChIKey
HXFFKWLFGLGDNU-UHFFFAOYSA-N
분자식
C24H20O4S
평균 분자량
404.5 g/mol

이름 및 식별자

우선 이름
4-([(5,5-Dimethyl-5,6-dihydro-8-(2-thienyl)-naphthalen-2-yl)carbonyl]oxy]-benzoic acid
IUPAC
4-(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalene-2-carbonyl)oxybenzoic acid

이름 및 동의어

CHEMBL1483274-([(5,5-Dimethyl-5,6-dihydro-8-(2-thienyl)-naphthalen-2-yl)carbonyl]oxy]-benzoic acid4-[[(5,5-Dimethyl-5,6-dihydro-8-(2-thienyl)-naphthalen-2-yl)carbonyl]oxy]-benzoic acidSCHEMBL6297505HXFFKWLFGLGDNU-UHFFFAOYSA-NBDBM500551134-[[(5,5-Dimethyl-5,6-dihydro-8-(2-thienyi)-naphthalen-2-yl)carbonyl]oxy)-benzoic acid5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphthalene-2-carboxylic acid 4-carboxy-phenyl ester

데이터베이스 식별자

PubChem CID
9953061
ChEMBL
CHEMBL148327
Nikkaji
J805.046E

물성

구조 계산 물성

XLogP
5.7
극성 표면적
91.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
29

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16건

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