Ethyl 4-[(4-tert-butylbenzoyl)amino]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
기본 정보
- CAS
488708-26-5- 표준 SMILES
CCOC(=O)c1sc(=S)n(C)c1NC(=O)c1ccc(C(C)(C)C)cc1- InChIKey
OWEYCOKXAHWNFI-UHFFFAOYSA-N- 분자식
- C18H22N2O3S2
- 평균 분자량
- 378.5 g/mol
- 단동위원소 질량
- 378.10718492
개요
4-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methyl-2-sulfanylidene-5-thiazolecarboxylic acid ethyl ester is a member of benzamides.
이름 및 식별자
- 우선 이름
- Ethyl 4-[(4-tert-butylbenzoyl)amino]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 4-[(4-tert-butylbenzoyl)amino]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
이름 및 동의어
ethyl 4-[(4-tert-butylbenzoyl)amino]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate4-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methyl-2-sulfanylidene-5-thiazolecarboxylic acid ethyl ester488708-26-54-(4-tert-Butyl-benzoylamino)-3-methyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl esterMLS001012280CHEMBL1581323CHEBI:105876DTXSID501325020HMS2799M15STL240789AKOS001043287SMR000425103
이름 더 보기
Q27183663Z56868962ethyl 4-(4-(tert-butyl)benzamido)-3-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxylateEthyl 4-(4-tert-butylbenzamido)-3-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylateethyl 4-{[(4-tert-butylphenyl)carbonyl]amino}-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
데이터베이스 식별자
- CAS
488708-26-5- PubChem CID
- 1949842
- DTXSID
DTXSID501325020- ChEMBL
CHEMBL1581323- ChEBI
CHEBI:105876
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 588
실험 및 물리화학적 성질
Solubility3.4 [ug/mL] (The mean of the results at pH 7.4)
관련 반응
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