1-Hydroxy-4-[(3-methyl-1-phenyl-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1H-pyrazol-5-yl)oxy]-N-[2-(tetradecyloxy)phenyl]naphthalene-2-carboxamide
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기본 정보
- CAS
80567-35-7- 표준 SMILES
CCCCCCCCCCCCCCOc1ccccc1NC(=O)c1cc(Oc2c(CSc3nnnn3-c3ccccc3)c(C)nn2-c2ccccc2)c2ccccc2c1O- InChIKey
KMGTTXLBMOHSIO-UHFFFAOYSA-N- 분자식
- C49H55N7O4S
- 평균 분자량
- 838.1 g/mol
- 단동위원소 질량
- 837.40362443
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 1-Hydroxy-4-[(3-methyl-1-phenyl-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1H-pyrazol-5-yl)oxy]-N-[2-(tetradecyloxy)phenyl]naphthalene-2-carboxamide
- IUPAC
- 1-hydroxy-4-[3-methyl-1-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyrazol-5-yl]oxy-N-(2-tetradecoxyphenyl)naphthalene-2-carboxamide
- 영어명
- 1-Hydroxy-4-[[3-methyl-1-phenyl-4-[[(1-phenyl-1H-tetrazole-5-yl)thio]methyl]-1H-pyrazole-5-yl]oxy]-N-[2-(tetradecyloxy)phenyl]-2-naphthalenecarboxamide
- 분자식
- C49H55N7O4S
- 분자량
- 838.07
이름 및 동의어
80567-35-7SCHEMBL10995796DTXSID70545897KMGTTXLBMOHSIO-UHFFFAOYSA-N1-Hydroxy-4-[(3-methyl-1-phenyl-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1H-pyrazol-5-yl)oxy]-N-[2-(tetradecyloxy)phenyl]naphthalene-2-carboxamide2-Naphthalenecarboxamide, 1-hydroxy-4-[[3-methyl-1-phenyl-4-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-1H-pyrazol-5-yl]oxy]-N-[2-(tetradecyloxy)phenyl]-1-Hydroxy-4-[[3-methyl-1-phenyl-4-[[(1-phenyl-1H-tetrazole-5-yl)thio]methyl]-1H-pyrazole-5-yl]oxy]-N-[2-(tetradecyloxy)phenyl]-2-naphthalenecarboxamide
데이터베이스 식별자
- CAS
80567-35-7- PubChem CID
- 13651604
- DTXSID
DTXSID70545897- Nikkaji
- J1.624.583F
물성
구조 계산 물성보충 중
- XLogP
- 14.7
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,240
물리화학적 성질
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.1 · 8.10±0.50(Predicted)
관련 반응
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