2-((5-((3,4-Dimethoxyphenyl)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide
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기본 정보
- CAS
298217-98-8- 표준 SMILES
COc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)c(OC)c3)n2C)cc1- InChIKey
ZOQBGBWIMBUTPL-UHFFFAOYSA-N- 분자식
- C21H24N4O4S
- 평균 분자량
- 428.5 g/mol
- 단동위원소 질량
- 428.15182643
이름 및 식별자
- 우선 이름
- 2-((5-((3,4-Dimethoxyphenyl)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide
- IUPAC
- 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
- 영어명
- 2-(4-((3,4-DIMETHOXYPHENYL)METHYL)-5-METHYL(2,3,5-TRIAZOLYLTHIO))-N-(4-METHOXYPHENYL)ETHANAMIDE
- 분자식
- C21H24N4O4S
- 분자량
- 428.5
이름 및 동의어
298217-98-82-[[5-[(3,4-Dimethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide2-((5-((3,4-Dimethoxyphenyl)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamideRefChem:2494382-({5-[(3,4-dimethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide2-(4-((3,4-DIMETHOXYPHENYL)METHYL)-5-METHYL(2,3,5-TRIAZOLYLTHIO))-N-(4-METHOXYPHENYL)ETHANAMIDE2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide2-{[5-(3,4-dimethoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide2-((5-(3,4-Dimethoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide2-(4-((3,4-dimethoxyphenyl)methyl)-5-methyl(2,3,5-triazolylthio))-N-(4-methoxyphenyl)acetamideOprea1_255136C21H24N4O4S
이름 더 보기
2-([5-(3,4-DIMETHOXYBENZYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHOXYPHENYL)ACETAMIDEAcetamide, 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)-
ZOQBGBWIMBUTPL-UHFFFAOYSA-NDTXSID001112884MFCD00834824AKOS005106000JS-1052FD170034ST019161AA-768/33244029
데이터베이스 식별자
- CAS
298217-98-8- PubChem CID
- 1278135
- DTXSID
DTXSID001112884
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 535
물리화학적 성질
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.43 · 12.43±0.70(Predicted)
관련 반응
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