2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
기본 정보
- CAS
591225-69-3- 표준 SMILES
Cc1ccc(OCc2nnc(SCC(=O)Nc3ncc(C)s3)o2)cc1- InChIKey
ZJXMYXGRNDEWAS-UHFFFAOYSA-N- 분자식
- C16H16N4O3S2
- 평균 분자량
- 376.5 g/mol
- 단동위원소 질량
- 376.06638273
이름 및 식별자
- 우선 이름
- 2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
- IUPAC
- 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
이름 및 동의어
ZINC45905332-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamideZINC04590533591225-69-3MLS000332638CHEMBL1493885DTXSID701322939HMS2800P18MFCD03050989STK021424AKOS003193607
이름 더 보기
SMR000435987ZINC000004590533O=C(Nc1ncc(s1)C)CSc1nnc(o1)COc1ccc(cc1)CCC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)NC3=NC=C(S3)CN(5methylthiazol2yl)2((5((ptolyloxy)methyl)134oxadiazol2yl)thio)acetamideN(5METHYLTHIAZOL2YL)2(5PTOLYLOXYMETHYL(134)OXADIAZOL2YLSULFANYL)ACETAMIDEN-(5-Methyl-thiazol-2-yl)-2-(5-p-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamideN-(5-methylthiazol-2-yl)-2-((5-((p-tolyloxy)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamide
데이터베이스 식별자
- CAS
591225-69-3- PubChem CID
- 3624109
- DTXSID
DTXSID701322939- ChEMBL
CHEMBL1493885
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 438
실험 및 물리화학적 성질
Solubility4.2 [ug/mL] (The mean of the results at pH 7.4)
관련 반응
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