기본 정보
- CAS
923113-37-5- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2nnn(-c3ccccc3)c2C)sc(C)c1C- InChIKey
SAPSCRLBVNDBBL-UHFFFAOYSA-N- 분자식
- C19H20N4O3S
- 평균 분자량
- 384.5 g/mol
이름 및 식별자
- 우선 이름
- ethyl 4,5-dimethyl-2-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxamido)thiophene-3-carboxylate
- IUPAC
- ethyl 4,5-dimethyl-2-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]thiophene-3-carboxylate
- 영어명
- ethyl 4,5-dimethyl-2-{[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]amino}thiophene-3-carboxylate
- 분자식
- C19H20N4O3S
- 분자량
- 384.45
이름 및 동의어
923113-37-5ethyl 4,5-dimethyl-2-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-amido)thiophene-3-carboxylateethyl 4,5-dimethyl-2-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxamido)thiophene-3-carboxylateF3126-1038SMSSF-0053810STK867654AKOS002319505ST50773477VU0509802-1SR-01000917685SR-01000917685-1ethyl 4,5-dimethyl-2-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-ylcarbonylamino)-3-thenoate
이름 더 보기
3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]amino]-, ethyl ester
ethyl 4,5-dimethyl-2-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]thiophene-3-carboxylateethyl 4,5-dimethyl-2-[(5-methyl-1-phenyl(1,2,3-triazol-4-yl))carbonylamino]thi ophene-3-carboxylateethyl 4,5-dimethyl-2-{[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]amino}thiophene-3-carboxylate
데이터베이스 식별자
- CAS
923113-37-5
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 543
물리화학적 성질
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.09 · 11.09±0.70(Predicted)
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