(2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]carbamate
기본 정보
- CAS
84528-83-6- 표준 SMILES
Cc1ccc(S(=O)(=O)Nc2ccc(N(C)C(=O)OC3=NN(c4ccccc4)CC3)c(CN(C)C(=O)C(F)(F)F)c2)cc1- InChIKey
VVUUJWKANHNWBF-UHFFFAOYSA-N- 분자식
- C28H28F3N5O5S
- 평균 분자량
- 603.6 g/mol
- 단동위원소 질량
- 603.17632467
이름 및 식별자
- 우선 이름
- (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]carbamate
- IUPAC
- (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]carbamate
이름 및 동의어
SCHEMBL10938275VVUUJWKANHNWBF-UHFFFAOYSA-NDTXSID701387723(2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]carbamate84528-83-6Carbamic acid, N-methyl-N-[4-[[(4-methylphenyl)sulfonyl]amino]-2-[[methyl(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-, 4,5-dihydro-1-phenyl-1H-pyrazol-3-yl ester
데이터베이스 식별자
- CAS
84528-83-6- PubChem CID
- 20473587
- DTXSID
DTXSID701387723
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,080
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