1-[5-[4-(Dimethylamino)phenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
기본 정보
- CAS
353488-32-1- 표준 SMILES
CC(=O)C1=NN(c2ccccc2)C(c2ccc(N(C)C)cc2)N1c1ccc(C)c(C)c1- InChIKey
VGFTUAWFFDLLAB-UHFFFAOYSA-N- 분자식
- C26H28N4O
- 평균 분자량
- 412.5 g/mol
이름 및 식별자
- 우선 이름
- 1-[5-[4-(Dimethylamino)phenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
- IUPAC
- 1-[3-[4-(dimethylamino)phenyl]-4-(3,4-dimethylphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
- 영어명
- 1-[5-[4-(dimethylamino)phenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
- 분자식
- C26H28N4O
- 분자량
- 412.52672
이름 및 동의어
1-[5-[4-(Dimethylamino)phenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanoneVGFTUAWFFDLLAB-UHFFFAOYSA-NAKOS001700001AKOS022006814AN-465/128480041-[3-[4-(dimethylamino)phenyl]-4-(3,4-dimethylphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone1-[5-[4-(Dimethylamino)phenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone #1-{5-[4-(DIMETHYLAMINO)PHENYL]-4-(3,4-DIMETHYLPHENYL)-1-PHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL}ETHAN-1-ONEEthanone, 1-[4,5-dihydro-5-(4-dimethylaminophenyl)-4-(3,4-dimethylphenyl)-1-phenyl-1H-1,2,4-triazol-3-yl]-
데이터베이스 식별자
- CAS
353488-32-1
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 39.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 648
관련 반응
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