N-[1-(2-phenylethyl)-5-chloro-4-ethoxycarbonylpyrazol-3-yl]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))-biphenyl-4-yl)methyl]-n-propylamine
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기본 정보
- 표준 SMILES
CCCN(Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1nn(CCc2ccccc2)c(Cl)c1C(=O)OCC- InChIKey
ZJFSTSABGDBERV-UHFFFAOYSA-N- 분자식
- C50H46ClN7O2
- 평균 분자량
- 812.4 g/mol
이름 및 식별자
- 우선 이름
- N-[1-(2-phenylethyl)-5-chloro-4-ethoxycarbonylpyrazol-3-yl]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))-biphenyl-4-yl)methyl]-n-propylamine
- IUPAC
- ethyl 5-chloro-1-(2-phenylethyl)-3-[propyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazole-4-carboxylate
이름 및 동의어
SCHEMBL8532658ZJFSTSABGDBERV-UHFFFAOYSA-NN-[1-(2-phenylethyl)-5-chloro-4-ethoxycarbonylpyrazol-3-yl ]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))-biphenyl-4-yl)methyl]-n-propylamineN-[1-(2-phenylethyl)-5-chloro-4-ethoxycarbonylpyrazol-3-yl]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))-biphenyl-4-yl)methyl]-n-propylamineN-[1-(2-phenylethyl)-5-chloro-4-ethoxycarbonylpyrazol-3-yl]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))biphenyl-4-yl)methyl]-n-propylamine
데이터베이스 식별자
- PubChem CID
- 22103835
물성
구조 계산 물성보충 중
- XLogP
- 11.9
- 극성 표면적
- 91 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,230
관련 반응
5건
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