기본 정보
- 표준 SMILES
CCC(C(=O)NCc1ccc(CN(Cc2ncc(C)cc2C)C2CCCc3cccnc32)c(CO)c1)c1ccccc1- InChIKey
APHHBKPPTVFIBU-UHFFFAOYSA-N- 분자식
- C36H42N4O2
- 평균 분자량
- 562.7 g/mol
- 단동위원소 질량
- 562.3307766
이름 및 식별자
- 우선 이름
- N-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butyramide
- IUPAC
- N-[[4-[[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3-(hydroxymethyl)phenyl]methyl]-2-phenylbutanamide
이름 및 동의어
SCHEMBL2083850APHHBKPPTVFIBU-UHFFFAOYSA-NN-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butvramideN-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butyramideN-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5.6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butyramide
데이터베이스 식별자
- PubChem CID
- 67272230
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 78.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 818
관련 반응
5건
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