기본 정보
- 표준 SMILES
Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCN)c1- InChIKey
GRVHIDQCLNYNOD-UHFFFAOYSA-N- 분자식
- C28H35N3O
- 평균 분자량
- 429.6 g/mol
이름 및 식별자
- 우선 이름
- 2-[3-(2-Aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-1-(7-azabicyclo[2.2.1]hept-7-yl)-2-methyl-propan-1-one
- IUPAC
- 2-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
이름 및 동의어
SCHEMBL6981043GRVHIDQCLNYNOD-UHFFFAOYSA-N2-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-1-(7-aza-bicyclo[2.2.1]hept-7-yl)-2-methyl-propan-1-one2-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-1-(7-aza-bicyclo[2.2.1]hept-7-yl)-2-methylpropan-1-one2-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-1-(7-azabicyclo [2.2.1]hept-7-yl)-2-methyl-propan-1-one2-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-1-(7-azabicyclo[2.2. 1 ]hept-7-yl)-2-methylpropan-1-one2-[3-(2-Aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-1-(7-azabicyclo[2.2.1]hept-7-yl)-2-methyl-propan-1-one2-[3-(2-Aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]1-(7-aza-bicyclo[2.2.1]hept-7-yl)-2-methyl-propan-1-one
데이터베이스 식별자
- PubChem CID
- 11761791
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 62.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 662
관련 반응
14건
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