기본 정보
- CAS
902693-31-6- 표준 SMILES
CCOC(=O)c1sc(NC(=O)CSc2nnc(C)n2C)nc1C- InChIKey
KQZRSMJCKNKTMF-UHFFFAOYSA-N- 분자식
- C13H17N5O3S2
- 평균 분자량
- 355.4 g/mol
- 단동위원소 질량
- 355.07728177
이름 및 식별자
- 우선 이름
- ethyl 2-({[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
- 영어명
- ethyl 2-({[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
- 분자식
- C13H17N5O3S2
- 분자량
- 355.44
이름 및 동의어
ethyl 2-({[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylateSTK514306STK928518AKOS003885804AKOS005658486AP-853/43445407ethyl (2Z)-2-({[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylateethyl 2-(2-((4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4-methylthiazole-5-carboxylateethyl 2-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate5-Thiazolecarboxylic acid, 2-[[2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-, ethyl ester
데이터베이스 식별자
- CAS
902693-31-6- PubChem CID
- 19715658
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 442
물리화학적 성질
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.19 · 7.19±0.50(Predicted)
화학 및 산업
공급사4 곳
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