N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-6-methyl-pyridin-3-yl)-phenyl]-vinyl}-3-methoxymethyl-phenyl)-methanesulfonamide
기본 정보
- 표준 SMILES
COCc1cc(NS(C)(=O)=O)ccc1/C=C/c1cc(-c2ccc(C)nc2OC)cc(C(C)(C)C)c1OC- InChIKey
SNPRCQGKYMJUQT-ZHACJKMWSA-N- 분자식
- C29H36N2O5S
- 평균 분자량
- 524.7 g/mol
이름 및 식별자
- 우선 이름
- N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-6-methyl-pyridin-3-yl)-phenyl]-vinyl}-3-methoxymethyl-phenyl)-methanesulfonamide
- IUPAC
- N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-6-methyl-3-pyridinyl)phenyl]ethenyl]-3-(methoxymethyl)phenyl]methanesulfonamide
이름 및 동의어
SCHEMBL1542538SNPRCQGKYMJUQT-ZHACJKMWSA-Nn-(4-{(e)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-6-methyl-pyridin-3-yl)-phenyl]-vinyl }-3-methoxymethyl-phenyl)-methanesulfonamideN-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-6-methyl-pyridin-3-yl)-phenyl]-vinyl}-3-methoxymethyl-phenyl)-methanesulfonamide
데이터베이스 식별자
- PubChem CID
- 67070031
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 95.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 836
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